Contract

All method knobs for the OpenCPMD backend are fields of CPMDParams in schema/Potentials.capnp. Geometry is never part of CPMDParams; it is always a ForceInput step message (or the raw C array entry points that take positions and atomic numbers).

Top-level CPMDParams fields

Feature ID	Field	Role
params.functional	functional	Default DFT functional (also used when no dft section is present)
params.cutOffRy	cutOffRy	Plane-wave cutoff in Rydberg
params.charge	charge	System charge
params.multiplicity	multiplicity	2S+1; values > 1 imply LSD defaults
params.task	task	Frontend hint: energy, gradient, md, optimize
params.title	title	Optional comment header in rendered decks
params.memoryMb	memoryMb	Frontend memory hint
params.scratchDir	scratchDir	&CPMD FILEPATH and the working directory for CPMD output when permanentDir is empty
params.permanentDir	permanentDir	&CPMD FILEPATH and the working directory for CPMD output; wins over scratchDir
params.cpmdRoot	cpmdRoot	OpenCPMD source/build tree
params.enginePath	enginePath	Frontend engine selection hint
params.inputBlocks	inputBlocks	Raw &SECTION text blocks prepended to the deck
params.inputSections	inputSections	Structured CPMDInputSection list

The feature-discovery table exposes these as params.<field> IDs. Structured fields use params.inputSections.<section>.<field>, for example params.inputSections.cpmd.maxIter, params.inputSections.dft.hfxScreening, params.inputSections.system.cell, and params.inputSections.pimd.directives.

Feature ID namespaces

Feature IDs separate writable schema fields from parser/catalog capability rows.

Namespace	Meaning
abi.*	Exported C ABI symbols
params.*	Top-level CPMDParams fields
params.inputSections.*	Typed fields and directive carriers inside CPMDInputSection
params.inputSections.system.*	Structured &SYSTEM controls such as cell, cutoff, Poisson, KPOINTS, CDFT, pressure, and stress fields
catalog.cpmd.*	Named &CPMD keyword capability rows
catalog.dft.*	Named &DFT keyword capability rows
catalog.section.*	OpenCPMD section names discovered from parser inscan('&SECTION') calls

catalog.section.SYSTEM means the &SYSTEM deck section is recognized as a section kind. Individual &SYSTEM controls stay under params.inputSections.system.* rather than a separate catalog.system.* namespace.

Manual keyword names do not always map to a catalog.cpmd.* feature ID. Use the field namespace when the renderer owns a typed section field:

Manual name	Feature or field ID	Rendered deck form
BOX WALLS	params.inputSections.system.boxWalls	&SYSTEM / BOX WALLS
MODIFIED GOEDECKER	params.inputSections.system.modifiedGoedecker	&SYSTEM / MODIFIED GOEDECKER
MODIFIED GOEDECKER PARAMETERS	params.inputSections.system.modifiedGoedeckerParameters	&SYSTEM / MODIFIED GOEDECKER PARAMETERS
SOC	catalog.cpmd.SOC and params.inputSections.cpmd.spinOrbitCouplingStates	&CPMD / SPIN-ORBIT COUPLING

FFTW WISDOM is not a typed feature row because the OpenCPMD manual source comments out that keyword and the parser tree used for inventory probing has no matching branch. Use inputSections.raw or inputBlocks only for a downstream tree that still accepts it.

Mapping a CPMD manual line

Use this order when turning a CPMD manual line into an ABI input:

1. Search this page for the literal keyword spelling.

2. Prefer a params.inputSections.<section>.<field> row when one exists; that is the writable schema field.

3. Use a catalog.cpmd.* row for recognized &CPMD keyword and inline option spellings. These rows are capability/discovery IDs; many render through an existing text field such as roksOptions, langevinOptions, or interfaceOptions.

4. Use a catalog.section.* row only to detect support for a whole OpenCPMD section such as &PIMD or &VDW.

5. Use set, generic, raw, or top-level inputBlocks when no structured field or catalog row represents the required deck text.

Examples:

Manual line	Writable carrier	Discovery row
ROKS TRIPLET LOCALIZED EXPERT	roksOptions plus roksExpertPayload	catalog.cpmd.ROKS, catalog.cpmd.ROKS_LOCALIZED, catalog.cpmd.ROKS_EXPERT
LANGEVIN SMART MOVECM CENTROIDOFF	langevinOptions plus langevinParameter	catalog.cpmd.LANGEVIN_SMART, catalog.cpmd.LANGEVIN_MOVECM, catalog.cpmd.LANGEVIN_CENTROIDOFF
INTERFACE GMX ESP PCGFIRST	interfaceOptions	catalog.cpmd.INTERFACE_GMX, catalog.cpmd.INTERFACE_ESP, catalog.cpmd.INTERFACE_PCGFIRST
CENTER MOLECULE ON	centerMoleculeOn	catalog.cpmd.CENTER_MOLECULE_ON
BOX WALLS in &SYSTEM	system.boxWalls	params.inputSections.system.boxWalls

Inventory guardrails

The inventory files are part of the public compatibility contract, not only generated lookup data. schema/inventory/cpmd_cp_keywords.txt lists base &CPMD controls that must exist as normalized catalog.cpmd.* feature rows. Punctuation and spaces normalize to underscores, so FREE-ENERGY maps to catalog.cpmd.FREE_ENERGY. The JSON inventory carries both opencpmd_inscan_sections and cpmd_sections; they must describe the same OpenCPMD parser section set. catalog.section.* feature rows must be owned by that set and by the checked-in schema/inventory/opencpmd_sections.txt allowlist.

Run the focused inventory guards with:

meson test -C build \
  feature-inventory cpmd-base-keyword-inventory \
  cpmd-params-field-inventory cpmd-public-abi-inventory \
  stub-abi-symbol-coverage \
  shared-dlopen-symbol-coverage \
  cpmd-schema-render-coverage cpmd-option-token-coverage \
  cpmd-typed-render-field-coverage cpmd-long-tail-section-coverage \
  cpmd-escape-hatch-coverage \
  --print-errorlogs

feature-inventory cross-checks the JSON inventory against the schema, public C feature table, README, and this reference page. When CPMD_ROOT points at an OpenCPMD tree, it also compares parser inscan('&SECTION') calls with the checked-in section inventory. cpmd-base-keyword-inventory proves the base keyword list cannot drop a catalog.cpmd.* row silently. cpmd-params-field-inventory requires every top-level CPMDParams schema field to keep a params.* feature row and rejects duplicate inventory IDs/lists and C feature table duplicates before set comparisons can hide them. cpmd-public-abi-inventory requires every public cpmdc_* header function to resolve through abi_symbols and the feature table, then verifies the native src/cpmdc.c, stub src/cpmdc_stub.c, or shared src/cpmdc_features.c implementation that exports it. stub-abi-symbol-coverage requires the standalone stub test to assert every abi_symbols feature row is present and stub-applicable. shared-dlopen-symbol-coverage requires the shared-library dlopen test to load every abi_symbols entry from libcpmdc.so. cpmd-schema-render-coverage requires typed CPMDCpmdSection fields to appear in the catalog render fixtures, and cpmd-option-token-coverage requires inline option spellings in Cap’n Proto fixtures to have render coverage. cpmd-typed-render-field-coverage requires typed cpmd, system, dft, and atoms fields to appear in render fixtures or render assertions. cpmd-long-tail-section-coverage requires every CPMDDirectiveSection union arm to appear in the long-tail fixture, render assertions, and this reference page. cpmd-escape-hatch-coverage requires inputBlocks, generic, set, and raw carriers to stay covered by schema, fixtures, render tests, and this reference page.

CPMDInputSection kinds

Kind	Cap’n Proto type	Deck effect
atom	CPMDDirectiveSection	&ATOM keyword/value lines and nested subsections
cpmd	CPMDCpmdSection	&CPMD (wavefunction/geometry optimization, MD, isolated/centered molecule controls, convergence, iteration limits, timestep, electron mass, …)
system	CPMDSystemSection	&SYSTEM (symmetry, cell/reference/classical cell, cutoff/grid/mesh controls, state occupation, external fields, CDFT Gaussian controls, pressure/stress controls, Poisson solver, surface/polymer/cluster, charge, …)
dft	CPMDDftSection	&DFT (functional, LSD, GC cutoff, XC driver, hybrid/Hubbard scalars, extra directives)
atoms	CPMDAtomsSection	&ATOMS (pseudopotential lines; coordinates come from ForceInput)
basis	CPMDDirectiveSection	&BASIS keyword/value lines and nested subsections
clas	CPMDDirectiveSection	&CLAS keyword/value lines and nested subsections
eam	CPMDDirectiveSection	&EAM keyword/value lines and nested subsections
exte	CPMDDirectiveSection	&EXTE keyword/value lines and nested subsections
hardness	CPMDDirectiveSection	&HARDNESS keyword/value lines and nested subsections
info	CPMDDirectiveSection	&INFO keyword/value lines and nested subsections
linres	CPMDDirectiveSection	&LINRES keyword/value lines and nested subsections
molstates	CPMDDirectiveSection	&MOLSTATES keyword/value lines and nested subsections
mts	CPMDDirectiveSection	&MTS keyword/value lines and nested subsections
nlcc	CPMDDirectiveSection	&NLCC keyword/value lines and nested subsections
path	CPMDDirectiveSection	&PATH keyword/value lines and nested subsections
pimd	CPMDDirectiveSection	&PIMD keyword/value lines and nested subsections
potential	CPMDDirectiveSection	&POTENTIAL keyword/value lines and nested subsections
prop	CPMDDirectiveSection	&PROP keyword/value lines and nested subsections
ptddft	CPMDDirectiveSection	&PTDDFT keyword/value lines and nested subsections
resp	CPMDDirectiveSection	&RESP keyword/value lines and nested subsections
tddft	CPMDDirectiveSection	&TDDFT keyword/value lines and nested subsections
vdw	CPMDDirectiveSection	&VDW keyword/value lines and nested subsections such as EMPIRICAL CORRECTION
vectors	CPMDDirectiveSection	&VECTORS keyword/value lines and nested subsections
wavefunction	CPMDDirectiveSection	&WAVEFUNCTION keyword/value lines and nested subsections
generic	CPMDGenericSection	Arbitrary &NAME … &END
set	CPMDSetDirective	Embed-path logical SECTION.KEYWORD merged into the section
raw	Text	Full section text inserted as-is

Missing core sections receive minimal defaults from the renderer so a sparse CPMDParams still produces a valid-looking deck for debugging. When structured dft or system sections provide scalar method values (functional, cutoff, charge, multiplicity), those section values are also the effective embed configuration passed through the C ABI. For geometry deck rendering, atoms.pseudopotentials groups ForceInput coordinates by element symbol. Explicit pseudopotential entries accept standard element symbols and must cover every atomic number present in the step geometry; otherwise rendering fails. When no atoms section is supplied, the renderer only provides built-in BLYP pseudopotential defaults for H and O. An explicit atoms section may rely on those H/O defaults while still carrying CPMDDirective entries for additional &ATOMS keywords.

Escape hatches

Long-tail CPMD keywords go in CPMDDirective lists or subsections inside the matching typed section, CPMDSetDirective dotted keys, CPMDInputSection.raw, or inputBlocks. &VDW uses subsections for nested blocks such as EMPIRICAL CORRECTION. set.key uses SECTION.KEYWORD form, for example CPMD.PRINT FORCES ON or SYSTEM.POISSON SOLVER HOCKNEY; non-empty set.value is emitted on the following indented line. Prefer new structured fields in the schema over inventing a second config file format.

Choosing an input carrier

Use the most structured carrier that represents the deck intent. The usual path is:

1. Put functional, cutoff, charge, multiplicity, task, and embed hints in the top-level CPMDParams fields.

2. Put named OpenCPMD section controls in typed inputSections arms such as system, cpmd, dft, and atoms.

3. Put extra section keywords in that section’s directives list when they naturally belong to a typed section.

4. Use set for one merge-only keyword, generic for a non-catalog section alias, and raw or inputBlocks for text that must remain literal.

Requirement	Carrier	Reason
Supported OpenCPMD inscan('&SECTION') block	typed section field	Schema readers, tests, and feature discovery can name the field directly
One extra keyword inside a generated section	set	The renderer merges it into the matching section without duplicating defaults
Non-catalog section alias with ordinary keyword/argument lines	generic	The section remains structured even when it is not an inventory ID
Existing deck text that must survive byte-for-byte apart from surrounding output	raw or inputBlocks	The renderer does not reinterpret the fragment

For example, a compact typed setup with one extra &SYSTEM keyword looks like:

(
  functional = "PBE0",
  cutOffRy = 85.0,
  multiplicity = 2,
  task = "gradient",
  inputSections = [
    ( system = (
        symmetry = 0,
        angstrom = true,
        cutOffRy = 85.0,
        cell = [12.0, 1.0, 1.0, 0.0, 0.0, 0.0]
      ) ),
    ( cpmd = (
        optimizeWavefunction = true,
        convergenceOrbitals = 1.0e-6,
        maxStep = 50,
        electronMass = 450.0
      ) ),
    ( dft = (
        functional = "PBE0",
        lsd = true,
        hfx = true,
        hfxScreening = "0.2"
      ) ),
    ( atoms = ( pseudopotentials = [
        ( element = "O", path = "O_MT_BLYP.psp", lmax = 1 ),
        ( element = "H", path = "H_CVB_BLYP.psp", lmax = 0 )
      ] ) ),
    ( set = ( key = "SYSTEM.POISSON SOLVER", value = "HOCKNEY" ) )
  ]
)

Catalog section exposure

The public feature table advertises every OpenCPMD inscan('&SECTION') name as a catalog.section.<NAME> feature ID. Typed sections have dedicated schema arms; every section can still be rendered through set, generic, raw, or inputBlocks when a dedicated field is unnecessary.

Feature ID	Deck section	ABI carrier
catalog.section.ATOM	&ATOM	typed atom, set, generic, raw, or inputBlocks
catalog.section.ATOMS	&ATOMS	typed atoms, set, generic, raw, or inputBlocks
catalog.section.BASIS	&BASIS	typed basis, set, generic, raw, or inputBlocks
catalog.section.CLAS	&CLAS	typed clas, set, generic, raw, or inputBlocks
catalog.section.CPMD	&CPMD	typed cpmd, set, generic, raw, or inputBlocks
catalog.section.DFT	&DFT	typed dft, set, generic, raw, or inputBlocks
catalog.section.EAM	&EAM	typed eam, set, generic, raw, or inputBlocks
catalog.section.EXTE	&EXTE	typed exte, set, generic, raw, or inputBlocks
catalog.section.HARDNESS	&HARDNESS	typed hardness, set, generic, raw, or inputBlocks
catalog.section.INFO	&INFO	typed info, set, generic, raw, or inputBlocks
catalog.section.LINRES	&LINRES	typed linres, set, generic, raw, or inputBlocks
catalog.section.MOLSTATES	&MOLSTATES	typed molstates, set, generic, raw, or inputBlocks
catalog.section.MTS	&MTS	typed mts, set, generic, raw, or inputBlocks
catalog.section.NLCC	&NLCC	typed nlcc, set, generic, raw, or inputBlocks
catalog.section.PATH	&PATH	typed path, set, generic, raw, or inputBlocks
catalog.section.PIMD	&PIMD	typed pimd, set, generic, raw, or inputBlocks
catalog.section.POTENTIAL	&POTENTIAL	typed potential, set, generic, raw, or inputBlocks
catalog.section.PROP	&PROP	typed prop, set, generic, raw, or inputBlocks
catalog.section.PTDDFT	&PTDDFT	typed ptddft, set, generic, raw, or inputBlocks
catalog.section.RESP	&RESP	typed resp, set, generic, raw, or inputBlocks
catalog.section.SYSTEM	&SYSTEM	typed system, set, generic, raw, or inputBlocks
catalog.section.TDDFT	&TDDFT	typed tddft, set, generic, raw, or inputBlocks
catalog.section.VDW	&VDW	typed vdw, set, generic, raw, or inputBlocks
catalog.section.VECTORS	&VECTORS	typed vectors, set, generic, raw, or inputBlocks
catalog.section.WAVEFUNCTION	&WAVEFUNCTION	typed wavefunction, set, generic, raw, or inputBlocks

Other structured parameter features

These params.inputSections.* IDs cover carriers and fields that are not single CPMD/DFT catalog keyword rows in the typed tables below.

Parameter feature ID	Field	Deck effect
params.inputSections.generic.name	generic.name	Section name for an arbitrary &NAME block
params.inputSections.generic.directives	generic.directives	Keyword/value lines inside the generic section
params.inputSections.atom.directives	atom.directives	Keyword/value lines inside &ATOM
params.inputSections.atom.subsections	atom.subsections	Nested blocks inside &ATOM
params.inputSections.system.symmetry	system.symmetry	&SYSTEM SYMMETRY
params.inputSections.system.angstrom	system.angstrom	&SYSTEM ANGSTROM
params.inputSections.system.cell	system.cell	&SYSTEM CELL
params.inputSections.system.cellAbsolute	system.cellAbsolute	Add ABSOLUTE to &SYSTEM CELL
params.inputSections.system.cellDegree	system.cellDegree	Add DEGREE to &SYSTEM CELL
params.inputSections.system.cellVectors	system.cellVectors	Add VECTORS to &SYSTEM CELL
params.inputSections.system.referenceCell	system.referenceCell	&SYSTEM REFERENCE CELL
params.inputSections.system.referenceCellAbsolute	system.referenceCellAbsolute	Add ABSOLUTE to REFERENCE CELL
params.inputSections.system.referenceCellDegree	system.referenceCellDegree	Add DEGREE to REFERENCE CELL
params.inputSections.system.referenceCellVectors	system.referenceCellVectors	Add VECTORS to REFERENCE CELL
params.inputSections.system.classicalCell	system.classicalCell	&SYSTEM CLASSICAL CELL
params.inputSections.system.classicalCellAbsolute	system.classicalCellAbsolute	Add ABSOLUTE to CLASSICAL CELL
params.inputSections.system.classicalCellDegree	system.classicalCellDegree	Add DEGREE to CLASSICAL CELL
params.inputSections.system.isotropicCell	system.isotropicCell	&SYSTEM ISOTROPIC CELL
params.inputSections.system.zFlexibleCell	system.zFlexibleCell	&SYSTEM ZFLEXIBLE CELL
params.inputSections.system.checkSymmetryPrecision	system.checkSymmetryPrecision	&SYSTEM CHECK SYMMETRY precision
params.inputSections.system.checkSymmetryOff	system.checkSymmetryOff	&SYSTEM CHECK SYMMETRY OFF
params.inputSections.system.cutOffRy	system.cutOffRy	&SYSTEM CUTOFF
params.inputSections.system.cutoffShape	system.cutoffShape	&SYSTEM SPHERICAL/NOSPHERICAL CUTOFF
params.inputSections.system.hfxCutoff	system.hfxCutoff	&SYSTEM HFX CUTOFF
params.inputSections.system.scale	system.scale	&SYSTEM SCALE S=<value>
params.inputSections.system.scaleX	system.scaleX	&SYSTEM SCALE SX=<value>
params.inputSections.system.scaleY	system.scaleY	&SYSTEM SCALE SY=<value>
params.inputSections.system.scaleZ	system.scaleZ	&SYSTEM SCALE SZ=<value>
params.inputSections.system.scaleCartesian	system.scaleCartesian	Add CARTESIAN to &SYSTEM SCALE
params.inputSections.system.charge	system.charge	&SYSTEM CHARGE
params.inputSections.system.multiplicity	system.multiplicity	&SYSTEM MULTIPLICITY
params.inputSections.system.nSup	system.nSup	&SYSTEM NSUP
params.inputSections.system.states	system.states	&SYSTEM STATES
params.inputSections.system.occupation	system.occupation	&SYSTEM OCCUPATION values
params.inputSections.system.occupationFixed	system.occupationFixed	Add FIXED to &SYSTEM OCCUPATION
params.inputSections.system.externalField	system.externalField	&SYSTEM EXTERNAL FIELD
params.inputSections.system.wCut	system.wCut	&SYSTEM WCUT
params.inputSections.system.wGauss	system.wGauss	&SYSTEM WGAUSS sigma values
params.inputSections.system.couplingsFiniteDifference	system.couplingsFiniteDifference	Add FD to &SYSTEM COUPLINGS
params.inputSections.system.couplingsFiniteDifferenceDisplacement	system.couplingsFiniteDifferenceDisplacement	&SYSTEM COUPLINGS FD= displacement
params.inputSections.system.couplingsProductDisplacement	system.couplingsProductDisplacement	&SYSTEM COUPLINGS PROD= displacement
params.inputSections.system.couplingsLinres	system.couplingsLinres	Add LINRES to &SYSTEM COUPLINGS
params.inputSections.system.couplingsLinresTolerance	system.couplingsLinresTolerance	Add TOL= to COUPLINGS LINRES
params.inputSections.system.couplingsLinresNvects	system.couplingsLinresNvects	Add NVECT= to COUPLINGS LINRES
params.inputSections.system.couplingsLinresSpecify	system.couplingsLinresSpecify	Add SPECIFY to COUPLINGS LINRES
params.inputSections.system.couplingsLinresThresholds	system.couplingsLinresThresholds	Add THRESHOLDS payload to COUPLINGS LINRES
params.inputSections.system.couplingsLinresBruteForce	system.couplingsLinresBruteForce	Add BRUTE FORCE to COUPLINGS LINRES
params.inputSections.system.couplingsSurfaces	system.couplingsSurfaces	&SYSTEM COUPLINGS NSURF= surface triples
params.inputSections.system.couplingsFiniteDifferenceAtoms	system.couplingsFiniteDifferenceAtoms	&SYSTEM COUPLINGS NAT= atom list
params.inputSections.system.cdftDonorAtoms	system.cdftDonorAtoms	&SYSTEM DONOR atom list
params.inputSections.system.cdftDonorWeights	system.cdftDonorWeights	Add WMULT weights to DONOR
params.inputSections.system.cdftAcceptorAtoms	system.cdftAcceptorAtoms	&SYSTEM ACCEPTOR atom list
params.inputSections.system.cdftAcceptorHdasDonors	system.cdftAcceptorHdasDonors	Add HDAS donor list to ACCEPTOR
params.inputSections.system.cdftAcceptorWeights	system.cdftAcceptorWeights	Add WMULT weights to ACCEPTOR
params.inputSections.system.pointGroup	system.pointGroup	&SYSTEM POINT GROUP selector line
params.inputSections.system.pointGroupMolecule	system.pointGroupMolecule	Add MOLECULE to POINT GROUP
params.inputSections.system.pointGroupDelta	system.pointGroupDelta	&SYSTEM POINT GROUP DELTA= accuracy
params.inputSections.system.lowSpinExcitation	system.lowSpinExcitation	&SYSTEM LOW SPIN EXCITATION options
params.inputSections.system.lowSpinExcitationLsets	system.lowSpinExcitationLsets	Add LSETS to LOW SPIN EXCITATION
params.inputSections.system.lowSpinExcitationPenalty	system.lowSpinExcitationPenalty	&SYSTEM LOW SPIN EXCITATION PENALTY value
params.inputSections.system.lseParameters	system.lseParameters	&SYSTEM LSE PARAMETERS lsea/lseb
params.inputSections.system.modifiedGoedecker	system.modifiedGoedecker	&SYSTEM MODIFIED GOEDECKER
params.inputSections.system.modifiedGoedeckerParameters	system.modifiedGoedeckerParameters	&SYSTEM MODIFIED GOEDECKER PARAMETERS lambda values
params.inputSections.system.energyProfile	system.energyProfile	&SYSTEM ENERGY PROFILE
params.inputSections.system.densityCutOffRy	system.densityCutOffRy	&SYSTEM DENSITY CUTOFF
params.inputSections.system.densityCutoffNumber	system.densityCutoffNumber	&SYSTEM DENSITY CUTOFF NUMBER
params.inputSections.system.dual	system.dual	&SYSTEM DUAL
params.inputSections.system.constantCutoff	system.constantCutoff	&SYSTEM CONSTANT CUTOFF
params.inputSections.system.boxWalls	system.boxWalls	&SYSTEM BOX WALLS
params.inputSections.system.poissonSolver	system.poissonSolver	&SYSTEM POISSON SOLVER
params.inputSections.system.poissonParameter	system.poissonParameter	Optional POISSON ... PARAMETER value
params.inputSections.system.mesh	system.mesh	&SYSTEM MESH
params.inputSections.system.kpoints	system.kpoints	&SYSTEM KPOINTS explicit weighted points
params.inputSections.system.kpointsScaled	system.kpointsScaled	Add SCALED to &SYSTEM KPOINTS
params.inputSections.system.kpointsOnlyDiagonal	system.kpointsOnlyDiagonal	Add ONLYDIAG to &SYSTEM KPOINTS
params.inputSections.system.kpointsBlock	system.kpointsBlock	Add BLOCK= to &SYSTEM KPOINTS
params.inputSections.system.kpointsBlockAll	system.kpointsBlockAll	Add ALL to KPOINTS BLOCK
params.inputSections.system.kpointsBlockCalculated	system.kpointsBlockCalculated	Add CALCULATED to KPOINTS BLOCK
params.inputSections.system.kpointsBlockNoSwap	system.kpointsBlockNoSwap	Add NOSWAP to KPOINTS BLOCK
params.inputSections.system.kpointsMonkhorstPack	system.kpointsMonkhorstPack	&SYSTEM KPOINTS MONKHORST-PACK mesh
params.inputSections.system.kpointsMonkhorstSymmetrized	system.kpointsMonkhorstSymmetrized	Add SYMMETRIZED to KPOINTS MONKHORST-PACK
params.inputSections.system.kpointsMonkhorstFull	system.kpointsMonkhorstFull	Add FULL to KPOINTS MONKHORST-PACK
params.inputSections.system.kpointsMonkhorstKdp	system.kpointsMonkhorstKdp	Add KDP to KPOINTS MONKHORST-PACK
params.inputSections.system.kpointsMonkhorstShift	system.kpointsMonkhorstShift	Add mesh-line SHIFT= to KPOINTS MONKHORST-PACK
params.inputSections.system.kpointBands	system.kpointBands	&SYSTEM KPOINTS BANDS segments
params.inputSections.system.doubleGrid	system.doubleGrid	&SYSTEM DOUBLE GRID ON or OFF
params.inputSections.system.symmetrizeCoordinates	system.symmetrizeCoordinates	&SYSTEM SYMMETRIZE COORDINATES
params.inputSections.system.tesr	system.tesr	&SYSTEM TESR
params.inputSections.system.surface	system.surface	&SYSTEM SURFACE direction
params.inputSections.system.polymer	system.polymer	&SYSTEM POLYMER
params.inputSections.system.cluster	system.cluster	&SYSTEM CLUSTER
params.inputSections.system.pressure	system.pressure	&SYSTEM PRESSURE
params.inputSections.system.stressTensor	system.stressTensor	&SYSTEM STRESS TENSOR
params.inputSections.system.shockVelocity	system.shockVelocity	&SYSTEM SHOCK VELOCITY
params.inputSections.system.directives	system.directives	Additional &SYSTEM keyword/value lines
params.inputSections.basis.directives	basis.directives	Keyword/value lines inside &BASIS
params.inputSections.basis.subsections	basis.subsections	Nested blocks inside &BASIS
params.inputSections.cpmd.directives	cpmd.directives	Additional &CPMD keyword/value lines
params.inputSections.dft.directives	dft.directives	Additional &DFT keyword/value lines
params.inputSections.clas.directives	clas.directives	Keyword/value lines inside &CLAS
params.inputSections.clas.subsections	clas.subsections	Nested blocks inside &CLAS
params.inputSections.eam.directives	eam.directives	Keyword/value lines inside &EAM
params.inputSections.eam.subsections	eam.subsections	Nested blocks inside &EAM
params.inputSections.exte.directives	exte.directives	Keyword/value lines inside &EXTE
params.inputSections.exte.subsections	exte.subsections	Nested blocks inside &EXTE
params.inputSections.hardness.directives	hardness.directives	Keyword/value lines inside &HARDNESS
params.inputSections.hardness.subsections	hardness.subsections	Nested blocks inside &HARDNESS
params.inputSections.info.directives	info.directives	Keyword/value lines inside &INFO
params.inputSections.info.subsections	info.subsections	Nested blocks inside &INFO
params.inputSections.linres.directives	linres.directives	Keyword/value lines inside &LINRES
params.inputSections.linres.subsections	linres.subsections	Nested blocks inside &LINRES
params.inputSections.molstates.directives	molstates.directives	Keyword/value lines inside &MOLSTATES
params.inputSections.molstates.subsections	molstates.subsections	Nested blocks inside &MOLSTATES
params.inputSections.mts.directives	mts.directives	Keyword/value lines inside &MTS
params.inputSections.mts.subsections	mts.subsections	Nested blocks inside &MTS
params.inputSections.nlcc.directives	nlcc.directives	Keyword/value lines inside &NLCC
params.inputSections.nlcc.subsections	nlcc.subsections	Nested blocks inside &NLCC
params.inputSections.path.directives	path.directives	Keyword/value lines inside &PATH
params.inputSections.path.subsections	path.subsections	Nested blocks inside &PATH
params.inputSections.pimd.directives	pimd.directives	Keyword/value lines inside &PIMD
params.inputSections.pimd.subsections	pimd.subsections	Nested blocks inside &PIMD
params.inputSections.potential.directives	potential.directives	Keyword/value lines inside &POTENTIAL
params.inputSections.potential.subsections	potential.subsections	Nested blocks inside &POTENTIAL
params.inputSections.prop.directives	prop.directives	Keyword/value lines inside &PROP
params.inputSections.prop.subsections	prop.subsections	Nested blocks inside &PROP
params.inputSections.ptddft.directives	ptddft.directives	Keyword/value lines inside &PTDDFT
params.inputSections.ptddft.subsections	ptddft.subsections	Nested blocks inside &PTDDFT
params.inputSections.resp.directives	resp.directives	Keyword/value lines inside &RESP
params.inputSections.resp.subsections	resp.subsections	Nested blocks inside &RESP
params.inputSections.tddft.directives	tddft.directives	Keyword/value lines inside &TDDFT
params.inputSections.tddft.subsections	tddft.subsections	Nested blocks inside &TDDFT
params.inputSections.vdw.directives	vdw.directives	Keyword/value lines inside &VDW
params.inputSections.vdw.subsections	vdw.subsections	Nested blocks inside &VDW, including EMPIRICAL CORRECTION
params.inputSections.vectors.directives	vectors.directives	Keyword/value lines inside &VECTORS
params.inputSections.vectors.subsections	vectors.subsections	Nested blocks inside &VECTORS
params.inputSections.wavefunction.directives	wavefunction.directives	Keyword/value lines inside &WAVEFUNCTION
params.inputSections.wavefunction.subsections	wavefunction.subsections	Nested blocks inside &WAVEFUNCTION
params.inputSections.atoms.pseudopotentials	atoms.pseudopotentials	Pseudopotential entries grouped with ForceInput coordinates
params.inputSections.atoms.constraints	atoms.constraints	CONSTRAINTS block entries (FIX/DIST/BEND/TORSION)
params.inputSections.atoms.isotopes	atoms.isotopes	ISOTOPE per-species mass overrides
params.inputSections.atoms.velocities	atoms.velocities	VELOCITIES block initial velocities
params.inputSections.atoms.dummyAtoms	atoms.dummyAtoms	DUMMY ATOMS entries (types 1-4)
params.inputSections.atoms.changeBonds	atoms.changeBonds	CHANGE BONDS lines
params.inputSections.atoms.generate	atoms.generate	GENERATE COORDINATES flag
params.inputSections.dft.hubbardU	dft.hubbardU	Structured HUBBARD U per-species entries
params.inputSections.dft.hfxWfcCutoff	dft.hfxWfcCutoff	HFX WFC CUTOFF value
params.inputSections.dft.hfxBlock	dft.hfxBlock	HFX BLOCK size
params.inputSections.dft.hfxDistribution	dft.hfxDistribution	HFX DISTRIBUTION scheme
params.inputSections.atoms.directives	atoms.directives	Additional non-coordinate &ATOMS keyword/value lines
params.inputSections.set.key	set.key	Dotted SECTION.KEYWORD merge target
params.inputSections.set.value	set.value	Optional value emitted under the dotted key
params.inputSections.raw	raw	Full section text inserted as-is

Typed &CPMD controls

CPMDCpmdSection exposes these driver controls directly; parser-accepted escape-hatch rows use directives. The feature IDs are the stable discovery keys returned by cpmdc_feature_table().

Catalog feature ID	Parameter feature ID	Field	Deck keyword
catalog.cpmd.OPTIMIZE_WAVEFUNCTION	params.inputSections.cpmd.optimizeWavefunction	optimizeWavefunction	OPTIMIZE WAVEFUNCTION
catalog.cpmd.OPTIMIZE_GEOMETRY	params.inputSections.cpmd.optimizeGeometry	optimizeGeometry	OPTIMIZE GEOMETRY
catalog.cpmd.OPTIMIZE_GEOMETRY_OPTIONS	params.inputSections.cpmd.optimizeGeometryOptions	optimizeGeometryOptions	OPTIMIZE GEOMETRY
catalog.cpmd.OPTIMIZE_GEOMETRY_CLASSICAL	params.inputSections.cpmd.optimizeGeometryOptions	optimizeGeometryOptions	OPTIMIZE GEOMETRY CLASSICAL
catalog.cpmd.OPTIMIZE_GEOMETRY_XYZ	params.inputSections.cpmd.optimizeGeometryOptions	optimizeGeometryOptions	OPTIMIZE GEOMETRY XYZ
catalog.cpmd.OPTIMIZE_GEOMETRY_SAMPLE_OPTION	params.inputSections.cpmd.optimizeGeometryOptions	optimizeGeometryOptions	OPTIMIZE GEOMETRY SAMPLE option
catalog.cpmd.OPTIMIZE_GEOMETRY_SAMPLE	params.inputSections.cpmd.optimizeGeometrySample	optimizeGeometrySample	OPTIMIZE GEOMETRY SAMPLE
catalog.cpmd.OPTIMIZE_COMBINED	params.inputSections.cpmd.optimizeCombinedOptions	optimizeCombinedOptions	OPTIMIZE COMBINED
catalog.cpmd.OPTIMIZE_COMBINED_XYZ	params.inputSections.cpmd.optimizeCombinedOptions	optimizeCombinedOptions	OPTIMIZE COMBINED XYZ
catalog.cpmd.OPTIMIZE_COMBINED_SAMPLE_OPTION	params.inputSections.cpmd.optimizeCombinedOptions	optimizeCombinedOptions	OPTIMIZE COMBINED SAMPLE option
catalog.cpmd.OPTIMIZE_COMBINED_SAMPLE	params.inputSections.cpmd.optimizeCombinedSample	optimizeCombinedSample	OPTIMIZE COMBINED SAMPLE
catalog.cpmd.MOLECULAR_DYNAMICS	params.inputSections.cpmd.molecularDynamics	molecularDynamics	MOLECULAR DYNAMICS
catalog.cpmd.MOLECULAR_DYNAMICS_CP	params.inputSections.cpmd.molecularDynamicsCp	molecularDynamicsCp	MOLECULAR DYNAMICS CP
catalog.cpmd.MOLECULAR_DYNAMICS_BO	params.inputSections.cpmd.molecularDynamicsBo	molecularDynamicsBo	MOLECULAR DYNAMICS BO
catalog.cpmd.MOLECULAR_DYNAMICS_EH	params.inputSections.cpmd.molecularDynamicsEh	molecularDynamicsEh	MOLECULAR DYNAMICS EH
catalog.cpmd.MOLECULAR_DYNAMICS_PT	params.inputSections.cpmd.molecularDynamicsPt	molecularDynamicsPt	MOLECULAR DYNAMICS PT
catalog.cpmd.MOLECULAR_DYNAMICS_CLASSICAL	params.inputSections.cpmd.molecularDynamicsClassical	molecularDynamicsClassical	MOLECULAR DYNAMICS CLASSICAL
catalog.cpmd.MOLECULAR_DYNAMICS_FILE	params.inputSections.cpmd.molecularDynamicsFile	molecularDynamicsFile	MOLECULAR DYNAMICS FILE
catalog.cpmd.MOLECULAR_DYNAMICS_FILE_OPTIONS	params.inputSections.cpmd.molecularDynamicsFileOptions	molecularDynamicsFileOptions	MOLECULAR DYNAMICS FILE options
catalog.cpmd.MOLECULAR_DYNAMICS_FILE_XYZ	params.inputSections.cpmd.molecularDynamicsFileOptions	molecularDynamicsFileOptions	MOLECULAR DYNAMICS FILE XYZ
catalog.cpmd.MOLECULAR_DYNAMICS_FILE_NSKIP	params.inputSections.cpmd.molecularDynamicsFileOptions	molecularDynamicsFileOptions	MOLECULAR DYNAMICS FILE NSKIP
catalog.cpmd.MOLECULAR_DYNAMICS_FILE_NSAMPLE	params.inputSections.cpmd.molecularDynamicsFileOptions	molecularDynamicsFileOptions	MOLECULAR DYNAMICS FILE NSAMPLE
catalog.cpmd.MOLECULAR_DYNAMICS_BD	params.inputSections.cpmd.molecularDynamicsBdTrajectories	molecularDynamicsBdTrajectories	MOLECULAR DYNAMICS BD
catalog.cpmd.PARRINELLO_RAHMAN	params.inputSections.cpmd.parrinelloRahmanOptions	parrinelloRahmanOptions	PARRINELLO-RAHMAN
catalog.cpmd.PARRINELLO_RAHMAN_NPT	params.inputSections.cpmd.parrinelloRahmanOptions	parrinelloRahmanOptions	PARRINELLO-RAHMAN NPT
catalog.cpmd.PARRINELLO_RAHMAN_SHOCK	params.inputSections.cpmd.parrinelloRahmanOptions	parrinelloRahmanOptions	PARRINELLO-RAHMAN SHOCK
catalog.cpmd.PARRINELLO_RAHMAN_TOLKINC	params.inputSections.cpmd.parrinelloRahmanOptions	parrinelloRahmanOptions	PARRINELLO-RAHMAN TOLKINC
catalog.cpmd.CHEBY	params.inputSections.cpmd.cheby	cheby	CHEBY
catalog.cpmd.CAYLEY	params.inputSections.cpmd.cayley	cayley	CAYLEY
catalog.cpmd.RUNGE_KUTTA	params.inputSections.cpmd.rungeKutta	rungeKutta	RUNGE-KUTTA
catalog.cpmd.FORCEMATCH	params.inputSections.cpmd.forceMatch	forceMatch	FORCEMATCH
catalog.cpmd.EMASS	params.inputSections.cpmd.electronMass	electronMass	EMASS
catalog.cpmd.TIMESTEP	params.inputSections.cpmd.timestep	timestep	TIMESTEP
catalog.cpmd.MAXRUNTIME	params.inputSections.cpmd.maxRuntime	maxRuntime	MAXRUNTIME
catalog.cpmd.TIMESTEP_ELECTRONS	params.inputSections.cpmd.timestepElectrons	timestepElectrons	TIMESTEP ELECTRONS
catalog.cpmd.TIMESTEP_IONS	params.inputSections.cpmd.timestepIons	timestepIons	TIMESTEP IONS
catalog.cpmd.CMASS	params.inputSections.cpmd.cellMass	cellMass	CMASS
catalog.cpmd.TEMPERATURE_ELECTRON	params.inputSections.cpmd.temperatureElectron	temperatureElectron	TEMPERATURE ELECTRON
catalog.cpmd.TEMPERATURE	params.inputSections.cpmd.temperature	temperature	TEMPERATURE
catalog.cpmd.TEMPERATURE_RAMP	params.inputSections.cpmd.temperatureRamp	temperatureRamp	TEMPERATURE RAMP
catalog.cpmd.TEMPERATURE_RAMP_TIME	params.inputSections.cpmd.temperatureRampTime	temperatureRampTime	TEMPERATURE RAMP payload
catalog.cpmd.TEMPERATURE_RAMP_RATE	params.inputSections.cpmd.temperatureRampRate	temperatureRampRate	TEMPERATURE RAMP payload
catalog.cpmd.RESCALE_VELOCITIES	params.inputSections.cpmd.rescaleOldVelocities	rescaleOldVelocities	RESCALE VELOCITIES
catalog.cpmd.RESCALE_OLD_VELOCITIES	params.inputSections.cpmd.rescaleOldVelocities	rescaleOldVelocities	RESCALE OLD VELOCITIES
catalog.cpmd.REVERSE_VELOCITIES	params.inputSections.cpmd.reverseVelocities	reverseVelocities	REVERSE VELOCITIES
catalog.cpmd.SUBTRACT_COMVEL	params.inputSections.cpmd.subtractComVelocity	subtractComVelocity	SUBTRACT COMVEL
catalog.cpmd.SUBTRACT_ROTVEL	params.inputSections.cpmd.subtractRotVelocity	subtractRotVelocity	SUBTRACT ROTVEL
catalog.cpmd.SUBTRACT	params.inputSections.cpmd.subtractComVelocity	subtractComVelocity	SUBTRACT
catalog.cpmd.COMVEL	params.inputSections.cpmd.subtractComVelocity	subtractComVelocity	COMVEL
catalog.cpmd.ROTVEL	params.inputSections.cpmd.subtractRotVelocity	subtractRotVelocity	ROTVEL
catalog.cpmd.PRNGSEED	params.inputSections.cpmd.prngSeed	prngSeed	PRNGSEED
catalog.cpmd.TEMPCONTROL_IONS	params.inputSections.cpmd.tempControlIons	tempControlIons	TEMPCONTROL IONS
catalog.cpmd.TEMPCONTROL_ELECTRONS	params.inputSections.cpmd.tempControlElectrons	tempControlElectrons	TEMPCONTROL ELECTRONS
catalog.cpmd.TEMPCONTROL_CELL	params.inputSections.cpmd.tempControlCell	tempControlCell	TEMPCONTROL CELL
catalog.cpmd.TEMPCONTROL	params.inputSections.cpmd.tempControlIons	tempControlIons	TEMPCONTROL
catalog.cpmd.BERENDSEN_IONS	params.inputSections.cpmd.berendsenIons	berendsenIons	BERENDSEN IONS
catalog.cpmd.BERENDSEN_ELECTRONS	params.inputSections.cpmd.berendsenElectrons	berendsenElectrons	BERENDSEN ELECTRONS
catalog.cpmd.BERENDSEN_CELL	params.inputSections.cpmd.berendsenCell	berendsenCell	BERENDSEN CELL
catalog.cpmd.MAXSTEP	params.inputSections.cpmd.maxStep	maxStep	MAXSTEP
catalog.cpmd.MAXITER	params.inputSections.cpmd.maxIter	maxIter	MAXITER
catalog.cpmd.CONVERGENCE_ORBITALS	params.inputSections.cpmd.convergenceOrbitals	convergenceOrbitals	CONVERGENCE ORBITALS
catalog.cpmd.CONVERGENCE_GEOMETRY	params.inputSections.cpmd.convergenceGeometry	convergenceGeometry	CONVERGENCE GEOMETRY
catalog.cpmd.CONVERGENCE	params.inputSections.cpmd.convergenceOrbitals	convergenceOrbitals	CONVERGENCE
catalog.cpmd.CONVERGENCE_CELL	params.inputSections.cpmd.convergenceCell	convergenceCell	CONVERGENCE CELL
catalog.cpmd.CONVERGENCE_ADAPT	params.inputSections.cpmd.convergenceAdapt	convergenceAdapt	CONVERGENCE ADAPT
catalog.cpmd.CONVERGENCE_ENERGY	params.inputSections.cpmd.convergenceEnergy	convergenceEnergy	CONVERGENCE ENERGY
catalog.cpmd.CONVERGENCE_CALFOR	params.inputSections.cpmd.convergenceCalfor	convergenceCalfor	CONVERGENCE CALFOR
catalog.cpmd.CONVERGENCE_RELAX	params.inputSections.cpmd.convergenceRelax	convergenceRelax	CONVERGENCE RELAX
catalog.cpmd.CONVERGENCE_RHOFIX	params.inputSections.cpmd.convergenceRhofix	convergenceRhofix	CONVERGENCE RHOFIX
catalog.cpmd.CONVERGENCE_INITIAL	params.inputSections.cpmd.convergenceInitial	convergenceInitial	CONVERGENCE INITIAL
catalog.cpmd.CONVERGENCE_CONSTRAINT	params.inputSections.cpmd.convergenceConstraint	convergenceConstraint	CONVERGENCE CONSTRAINT
catalog.cpmd.NOSE	params.inputSections.cpmd.nose	nose	NOSE
catalog.cpmd.NOSE_IONS	params.inputSections.cpmd.noseIons	noseIons	NOSE IONS
catalog.cpmd.NOSE_IONS_OPTIONS	params.inputSections.cpmd.noseIonsOptions	noseIonsOptions	NOSE IONS options
catalog.cpmd.NOSE_IONS_ULTRA	params.inputSections.cpmd.noseIonsOptions	noseIonsOptions	NOSE IONS ULTRA
catalog.cpmd.NOSE_IONS_MASSIVE	params.inputSections.cpmd.noseIonsOptions	noseIonsOptions	NOSE IONS MASSIVE
catalog.cpmd.NOSE_IONS_CENTROIDOFF	params.inputSections.cpmd.noseIonsOptions	noseIonsOptions	NOSE IONS CENTROIDOFF
catalog.cpmd.NOSE_IONS_T0	params.inputSections.cpmd.noseIonsOptions	noseIonsOptions	NOSE IONS T0
catalog.cpmd.NOSE_ELECTRONS	params.inputSections.cpmd.noseElectrons	noseElectrons	NOSE ELECTRONS
catalog.cpmd.NOSE_IONS_PAYLOAD	params.inputSections.cpmd.noseIonsThermostat	noseIonsThermostat	NOSE IONS
catalog.cpmd.NOSE_IONS_LOCAL	params.inputSections.cpmd.noseIonsLocalThermostatCount	noseIonsLocalThermostatCount	NOSE IONS LOCAL
catalog.cpmd.NOSE_IONS_LOCAL_T0	params.inputSections.cpmd.noseIonsLocalT0	noseIonsLocalT0	NOSE IONS LOCAL T0
catalog.cpmd.NOSE_IONS_LOCAL_THERMOSTATS	params.inputSections.cpmd.noseIonsLocalThermostats	noseIonsLocalThermostats	NOSE IONS LOCAL thermostat payload
catalog.cpmd.NOSE_IONS_LOCAL_RANGES	params.inputSections.cpmd.noseIonsLocalRangeCount	noseIonsLocalRangeCount	NOSE IONS LOCAL range count
catalog.cpmd.NOSE_IONS_LOCAL_RANGES	params.inputSections.cpmd.noseIonsLocalRanges	noseIonsLocalRanges	NOSE IONS LOCAL range payload
catalog.cpmd.NOSE_IONS_CAFES	params.inputSections.cpmd.noseIonsCafesGroupCount	noseIonsCafesGroupCount	NOSE IONS CAFES
catalog.cpmd.NOSE_IONS_CAFES_GROUPS	params.inputSections.cpmd.noseIonsCafesGroups	noseIonsCafesGroups	NOSE IONS CAFES group payload
catalog.cpmd.NOSE_ELECTRONS_PAYLOAD	params.inputSections.cpmd.noseElectronsThermostat	noseElectronsThermostat	NOSE ELECTRONS
catalog.cpmd.NOSE_CELL	params.inputSections.cpmd.noseCellThermostat	noseCellThermostat	NOSE CELL
catalog.cpmd.NOSE_CELL_PAYLOAD	params.inputSections.cpmd.noseCellThermostat	noseCellThermostat	NOSE CELL
catalog.cpmd.NOSE_PARAMETER	params.inputSections.cpmd.noseParameters	noseParameters	NOSE PARAMETER
catalog.cpmd.NOSE_PARAMETERS	params.inputSections.cpmd.noseParameters	noseParameters	NOSE PARAMETERS
catalog.cpmd.USE_IN_STREAM	params.inputSections.cpmd.useInStream	useInStream	USE_IN_STREAM
catalog.cpmd.USE_OUT_STREAM	params.inputSections.cpmd.useOutStream	useOutStream	USE_OUT_STREAM
catalog.cpmd.USE_CUBLAS	params.inputSections.cpmd.useCublas	useCublas	USE_CUBLAS
catalog.cpmd.USE_CUFFT	params.inputSections.cpmd.useCufft	useCufft	USE_CUFFT
catalog.cpmd.BLAS_N_STREAMS_PER_DEVICE	params.inputSections.cpmd.blasNStreamsPerDevice	blasNStreamsPerDevice	BLAS_N_STREAMS_PER_DEVICE
catalog.cpmd.BLAS_N_DEVICES_PER_TASK	params.inputSections.cpmd.blasNDevicesPerTask	blasNDevicesPerTask	BLAS_N_DEVICES_PER_TASK
catalog.cpmd.FFT_N_STREAMS_PER_DEVICE	params.inputSections.cpmd.fftNStreamsPerDevice	fftNStreamsPerDevice	FFT_N_STREAMS_PER_DEVICE
catalog.cpmd.FFT_N_DEVICES_PER_TASK	params.inputSections.cpmd.fftNDevicesPerTask	fftNDevicesPerTask	FFT_N_DEVICES_PER_TASK
catalog.cpmd.USE_MPI_IO	params.inputSections.cpmd.useMpiIo	useMpiIo	USE_MPI_IO
catalog.cpmd.TRACE	params.inputSections.cpmd.traceOptions	traceOptions	TRACE
catalog.cpmd.TRACE_ALL	params.inputSections.cpmd.traceOptions	traceOptions	TRACE ALL
catalog.cpmd.TRACE_MASTER	params.inputSections.cpmd.traceOptions	traceOptions	TRACE MASTER
catalog.cpmd.TRACE_PROCEDURE	params.inputSections.cpmd.traceProcedure	traceProcedure	TRACE_PROCEDURE
catalog.cpmd.TRACE_MAX_DEPTH	params.inputSections.cpmd.traceMaxDepth	traceMaxDepth	TRACE_MAX_DEPTH
catalog.cpmd.TRACE_MAX_CALLS	params.inputSections.cpmd.traceMaxCalls	traceMaxCalls	TRACE_MAX_CALLS
catalog.cpmd.BERENDSEN	params.inputSections.cpmd.berendsen	berendsen	BERENDSEN
catalog.cpmd.LANGEVIN	params.inputSections.cpmd.langevin	langevin	LANGEVIN
catalog.cpmd.ANNEALING	params.inputSections.cpmd.annealing	annealing	ANNEALING
catalog.cpmd.ANNEALING_IONS	params.inputSections.cpmd.annealingIons	annealingIons	ANNEALING IONS
catalog.cpmd.ANNEALING_ELECTRONS	params.inputSections.cpmd.annealingElectrons	annealingElectrons	ANNEALING ELECTRONS
catalog.cpmd.ANNEALING_CELL	params.inputSections.cpmd.annealingCell	annealingCell	ANNEALING CELL
catalog.cpmd.DAMPING	params.inputSections.cpmd.damping	damping	DAMPING
catalog.cpmd.DAMPING_IONS	params.inputSections.cpmd.dampingIons	dampingIons	DAMPING IONS
catalog.cpmd.DAMPING_ELECTRONS	params.inputSections.cpmd.dampingElectrons	dampingElectrons	DAMPING ELECTRONS
catalog.cpmd.DAMPING_CELL	params.inputSections.cpmd.dampingCell	dampingCell	DAMPING CELL
catalog.cpmd.HESSIAN	params.inputSections.cpmd.hessian	hessian	HESSIAN
catalog.cpmd.PROJECT	params.inputSections.cpmd.project	project	PROJECT
catalog.cpmd.STRESS_TENSOR	params.inputSections.cpmd.stressTensorSample	stressTensorSample	STRESS TENSOR
catalog.cpmd.STRESS_TENSOR_SAMPLE	params.inputSections.cpmd.stressTensorSample	stressTensorSample	STRESS TENSOR
catalog.cpmd.STRESS_TENSOR_VIRIAL	params.inputSections.cpmd.stressTensorVirial	stressTensorVirial	STRESS TENSOR VIRIAL
catalog.cpmd.CLASSTRESS	params.inputSections.cpmd.classStressSample	classStressSample	CLASSTRESS
catalog.cpmd.QUENCH	params.inputSections.cpmd.quench	quench	QUENCH
catalog.cpmd.RATTLE	params.inputSections.cpmd.rattle	rattle	RATTLE
catalog.cpmd.SHAKE	params.inputSections.cpmd.shake	shake	SHAKE
catalog.cpmd.CONSTRAINT	params.inputSections.cpmd.constraint	constraint	CONSTRAINT
catalog.cpmd.TROTTER	params.inputSections.cpmd.trotter	trotter	TROTTER
catalog.cpmd.RESTART	params.inputSections.cpmd.restart	restart	RESTART
catalog.cpmd.RESTART_WAVEFUNCTION	params.inputSections.cpmd.restartWavefunction	restartWavefunction	RESTART WAVEFUNCTION
catalog.cpmd.TRAJECTORY	params.inputSections.cpmd.trajectory	trajectory	TRAJECTORY
catalog.cpmd.ISOLATED_MOLECULE	params.inputSections.cpmd.isolatedMolecule	isolatedMolecule	ISOLATED MOLECULE
catalog.cpmd.MOLECULE_ISOLATED	params.inputSections.cpmd.isolatedMolecule	isolatedMolecule	MOLECULE ISOLATED
catalog.cpmd.PRINT	params.inputSections.cpmd.printOptions	printOptions	PRINT
catalog.cpmd.PRINT_FORCES	params.inputSections.cpmd.printOptions	printOptions	PRINT FORCES
catalog.cpmd.PRINT_ON	params.inputSections.cpmd.printOptions	printOptions	PRINT ON
catalog.cpmd.STRUCTURE	params.inputSections.cpmd.structureOptions	structureOptions	STRUCTURE
catalog.cpmd.STRUCTURE_BONDS	params.inputSections.cpmd.structureOptions	structureOptions	STRUCTURE BONDS
catalog.cpmd.STRUCTURE_ANGLES	params.inputSections.cpmd.structureOptions	structureOptions	STRUCTURE ANGLES
catalog.cpmd.STRUCTURE_DIHEDRALS	params.inputSections.cpmd.structureOptions	structureOptions	STRUCTURE DIHEDRALS
catalog.cpmd.STRUCTURE_SELECT	params.inputSections.cpmd.structureOptions	structureOptions	STRUCTURE SELECT
catalog.cpmd.STRUCTURE_SELECTION	params.inputSections.cpmd.structureSelection	structureSelection	STRUCTURE SELECT payload
catalog.cpmd.STORE	params.inputSections.cpmd.storeOptions	storeOptions	STORE
catalog.cpmd.STORE_WAVEFUNCTION	params.inputSections.cpmd.storeOptions	storeOptions	STORE WAVEFUNCTION
catalog.cpmd.STORE_SELECTION	params.inputSections.cpmd.storeSelection	storeSelection	STORE
catalog.cpmd.STORE_SELECTION_WAVEFUNCTION	params.inputSections.cpmd.storeSelection	storeSelection	STORE SELECTION WAVEFUNCTION
catalog.cpmd.STORE_SELECTION_DENSITY	params.inputSections.cpmd.storeSelection	storeSelection	STORE SELECTION DENSITY
catalog.cpmd.STORE_INTERVAL	params.inputSections.cpmd.storeInterval	storeInterval	STORE interval
catalog.cpmd.STORE_SC_INTERVAL	params.inputSections.cpmd.storeSelfConsistentInterval	storeSelfConsistentInterval	STORE SC= interval
catalog.cpmd.STORE_OFF	params.inputSections.cpmd.storeOffSelection	storeOffSelection	STORE OFF
catalog.cpmd.STORE_OFF_POTENTIAL	params.inputSections.cpmd.storeOffSelection	storeOffSelection	STORE OFF POTENTIAL
catalog.cpmd.RESTFILE	params.inputSections.cpmd.restFileCount	restFileCount	RESTFILE
catalog.cpmd.RESTFILE_SAMPLE	params.inputSections.cpmd.restFileSample	restFileSample	RESTFILE SAMPLE
catalog.cpmd.TRAJECTORY_OPTIONS	params.inputSections.cpmd.trajectoryOptions	trajectoryOptions	TRAJECTORY
catalog.cpmd.TRAJECTORY_XYZ	params.inputSections.cpmd.trajectoryOptions	trajectoryOptions	TRAJECTORY XYZ
catalog.cpmd.TRAJECTORY_BINARY	params.inputSections.cpmd.trajectoryOptions	trajectoryOptions	TRAJECTORY BINARY
catalog.cpmd.TRAJECTORY_FORCES	params.inputSections.cpmd.trajectoryOptions	trajectoryOptions	TRAJECTORY FORCES
catalog.cpmd.TRAJECTORY_RANGE_OPTION	params.inputSections.cpmd.trajectoryOptions	trajectoryOptions	TRAJECTORY RANGE option
catalog.cpmd.TRAJECTORY_SAMPLE_OPTION	params.inputSections.cpmd.trajectoryOptions	trajectoryOptions	TRAJECTORY SAMPLE option
catalog.cpmd.TRAJECTORY_SAMPLE	params.inputSections.cpmd.trajectorySample	trajectorySample	TRAJECTORY SAMPLE
catalog.cpmd.TRAJECTORY_RANGE	params.inputSections.cpmd.trajectoryRange	trajectoryRange	TRAJECTORY RANGE
catalog.cpmd.MOVIE_SAMPLE	params.inputSections.cpmd.movieSample	movieSample	MOVIE SAMPLE
catalog.cpmd.MOVIE_OFF	params.inputSections.cpmd.movieOff	movieOff	MOVIE OFF
catalog.cpmd.MOVIE	params.inputSections.cpmd.movieSample	movieSample	MOVIE
catalog.cpmd.ENERGYBANDS	params.inputSections.cpmd.energyBands	energyBands	ENERGYBANDS
catalog.cpmd.EXTERNAL_POTENTIAL	params.inputSections.cpmd.externalPotential	externalPotential	EXTERNAL POTENTIAL
catalog.cpmd.EXTERNAL_POTENTIAL_ADD	params.inputSections.cpmd.externalPotentialAdd	externalPotentialAdd	EXTERNAL POTENTIAL ADD
catalog.cpmd.ELECTROSTATIC_POTENTIAL	params.inputSections.cpmd.electrostaticPotential	electrostaticPotential	ELECTROSTATIC POTENTIAL
catalog.cpmd.ELECTROSTATIC_POTENTIAL_SAMPLE	params.inputSections.cpmd.electrostaticPotentialSample	electrostaticPotentialSample	ELECTROSTATIC POTENTIAL SAMPLE
catalog.cpmd.DIPOLE_DYNAMICS	params.inputSections.cpmd.dipoleDynamics	dipoleDynamics	DIPOLE DYNAMICS
catalog.cpmd.DIPOLE_DYNAMICS_SAMPLE	params.inputSections.cpmd.dipoleDynamicsSample	dipoleDynamicsSample	DIPOLE DYNAMICS SAMPLE
catalog.cpmd.DIPOLE_DYNAMICS_WANNIER	params.inputSections.cpmd.dipoleDynamicsWannier	dipoleDynamicsWannier	DIPOLE DYNAMICS WANNIER
catalog.cpmd.RHOOUT	params.inputSections.cpmd.rhoOut	rhoOut	RHOOUT
catalog.cpmd.RHOOUT_SAMPLE	params.inputSections.cpmd.rhoOutSample	rhoOutSample	RHOOUT SAMPLE
catalog.cpmd.RHOOUT_BANDS_COUNT	params.inputSections.cpmd.rhoOutBandsCount	rhoOutBandsCount	RHOOUT BANDS count
catalog.cpmd.RHOOUT_BANDS	params.inputSections.cpmd.rhoOutBands	rhoOutBands	RHOOUT BANDS
catalog.cpmd.ELF	params.inputSections.cpmd.elf	elf	ELF
catalog.cpmd.ELF_PARAMETERS	params.inputSections.cpmd.elfParameters	elfParameters	ELF PARAMETER
catalog.cpmd.WANNIER_PARAMETER	params.inputSections.cpmd.wannierParameters	wannierParameters	WANNIER PARAMETER
catalog.cpmd.WANNIER_OPTIMIZATION	params.inputSections.cpmd.wannierOptimization	wannierOptimization	WANNIER OPTIMIZATION
catalog.cpmd.WANNIER_OPTIMIZATION_JACOBI	params.inputSections.cpmd.wannierOptimization	wannierOptimization	WANNIER OPTIMIZATION JACOBI
catalog.cpmd.WANNIER_NPROC	params.inputSections.cpmd.wannierNproc	wannierNproc	WANNIER NPROC
catalog.cpmd.WANNIER_RELOCALIZE_IN_SCF	params.inputSections.cpmd.wannierRelocalizeInScf	wannierRelocalizeInScf	WANNIER RELOCALIZE_IN_SCF
catalog.cpmd.WANNIER_RECOMPUTE_DIPOLE_MATRICES_EVERY	params.inputSections.cpmd.wannierRecomputeDipoleMatricesEvery	wannierRecomputeDipoleMatricesEvery	WANNIER RECOMPUTE_DIPOLE_MATRICES_EVERY
catalog.cpmd.WANNIER_RELOCALIZE_EVERY	params.inputSections.cpmd.wannierRelocalizeEvery	wannierRelocalizeEvery	WANNIER RELOCALIZE_EVERY
catalog.cpmd.WANNIER_TYPE	params.inputSections.cpmd.wannierType	wannierType	WANNIER TYPE
catalog.cpmd.WANNIER_TYPE_RESTA	params.inputSections.cpmd.wannierType	wannierType	WANNIER TYPE RESTA
catalog.cpmd.WANNIER_REFERENCE	params.inputSections.cpmd.wannierReference	wannierReference	WANNIER REFERENCE
catalog.cpmd.WANNIER_SERIAL	params.inputSections.cpmd.wannierSerial	wannierSerial	WANNIER SERIAL
catalog.cpmd.WANNIER_DOS	params.inputSections.cpmd.wannierDos	wannierDos	WANNIER DOS
catalog.cpmd.WANNIER_MOLECULAR	params.inputSections.cpmd.wannierMolecular	wannierMolecular	WANNIER MOLECULAR
catalog.cpmd.WANNIER_WFNOUT	params.inputSections.cpmd.wannierWfnOutOptions	wannierWfnOutOptions	WANNIER WFNOUT
catalog.cpmd.WANNIER_WFNOUT_OPTIONS	params.inputSections.cpmd.wannierWfnOutOptions	wannierWfnOutOptions	WANNIER WFNOUT
catalog.cpmd.WANNIER_WFNOUT_PARTIAL	params.inputSections.cpmd.wannierWfnOutOptions	wannierWfnOutOptions	WANNIER WFNOUT PARTIAL
catalog.cpmd.WANNIER_WFNOUT_DENSITY	params.inputSections.cpmd.wannierWfnOutOptions	wannierWfnOutOptions	WANNIER WFNOUT DENSITY
catalog.cpmd.WANNIER_WFNOUT_PAYLOAD	params.inputSections.cpmd.wannierWfnOutPayload	wannierWfnOutPayload	WANNIER WFNOUT payload
catalog.cpmd.PARA_USE_MPI_IN_PLACE	params.inputSections.cpmd.paraUseMpiInPlace	paraUseMpiInPlace	PARA_USE_MPI_IN_PLACE
catalog.cpmd.PARA_BUFF_SIZE	params.inputSections.cpmd.paraBuffSize	paraBuffSize	PARA_BUFF_SIZE
catalog.cpmd.PARA_STACK_BUFF_SIZE	params.inputSections.cpmd.paraStackBuffSize	paraStackBuffSize	PARA_STACK_BUFF_SIZE
catalog.cpmd.COMPRESS	params.inputSections.cpmd.compress	compress	COMPRESS
catalog.cpmd.COMPRESS_WRITE32	params.inputSections.cpmd.compress	compress	COMPRESS WRITE32
catalog.cpmd.MEMORY	params.inputSections.cpmd.memory	memory	MEMORY
catalog.cpmd.MEMORY_CHECK	params.inputSections.cpmd.memory	memory	MEMORY CHECK
catalog.cpmd.MEMORY_SMALL	params.inputSections.cpmd.memory	memory	MEMORY SMALL
catalog.cpmd.CHECK_MEMORY	params.inputSections.cpmd.checkMemory	checkMemory	CHECK MEMORY
catalog.cpmd.REAL_SPACE_WFN	params.inputSections.cpmd.realSpaceWfn	realSpaceWfn	REAL SPACE WFN
catalog.cpmd.REALSPACE_WFN	params.inputSections.cpmd.realSpaceWfn	realSpaceWfn	REALSPACE WFN
catalog.cpmd.REAL_SPACE_WFN_KEEP	params.inputSections.cpmd.realSpaceWfnKeep	realSpaceWfnKeep	REAL SPACE WFN KEEP
catalog.cpmd.REAL_SPACE_WFN_SIZE	params.inputSections.cpmd.realSpaceWfnSize	realSpaceWfnSize	REAL SPACE WFN SIZE
catalog.cpmd.SPLINE	params.inputSections.cpmd.splineOptions	splineOptions	SPLINE
catalog.cpmd.SPLINE_OPTIONS	params.inputSections.cpmd.splineOptions	splineOptions	SPLINE
catalog.cpmd.SPLINE_POINTS_OPTION	params.inputSections.cpmd.splineOptions	splineOptions	SPLINE POINTS option
catalog.cpmd.SPLINE_QFUNCTION	params.inputSections.cpmd.splineOptions	splineOptions	SPLINE QFUNCTION
catalog.cpmd.SPLINE_INIT	params.inputSections.cpmd.splineOptions	splineOptions	SPLINE INIT
catalog.cpmd.SPLINE_RANGE_OPTION	params.inputSections.cpmd.splineOptions	splineOptions	SPLINE RANGE option
catalog.cpmd.SPLINE_POINTS	params.inputSections.cpmd.splinePoints	splinePoints	SPLINE POINTS
catalog.cpmd.SPLINE_RANGE	params.inputSections.cpmd.splineRange	splineRange	SPLINE RANGE
catalog.cpmd.FINITE_DIFFERENCE	params.inputSections.cpmd.finiteDifferences	finiteDifferences	FINITE DIFFERENCE
catalog.cpmd.FINITE_DIFFERENCES	params.inputSections.cpmd.finiteDifferences	finiteDifferences	FINITE DIFFERENCES
catalog.cpmd.FINITE_DIFFERENCES_COORD	params.inputSections.cpmd.finiteDifferences	finiteDifferences	FINITE DIFFERENCES COORD
catalog.cpmd.FINITE_DIFFERENCES_RADIUS	params.inputSections.cpmd.finiteDifferences	finiteDifferences	FINITE DIFFERENCES RADIUS
catalog.cpmd.TASKGROUPS	params.inputSections.cpmd.taskGroups	taskGroups	TASKGROUPS
catalog.cpmd.TASKGROUPS_COUNT	params.inputSections.cpmd.taskGroupsCount	taskGroupsCount	TASKGROUPS count
catalog.cpmd.TASKGROUPS_CARTESIAN	params.inputSections.cpmd.taskGroups	taskGroups	TASKGROUPS CARTESIAN
catalog.cpmd.TASKGROUPS_MINI	params.inputSections.cpmd.taskGroups	taskGroups	TASKGROUPS MINI
catalog.cpmd.DISTRIBUTE_FNL	params.inputSections.cpmd.distributeFnl	distributeFnl	DISTRIBUTE FNL
catalog.cpmd.DISTRIBUTE_FNL_ON	params.inputSections.cpmd.distributeFnl	distributeFnl	DISTRIBUTE FNL ON
catalog.cpmd.CP_GROUPS	params.inputSections.cpmd.cpGroups	cpGroups	CP_GROUPS
catalog.cpmd.FILE_FUSION	params.inputSections.cpmd.fileFusionPayload	fileFusionPayload	FILE FUSION
catalog.cpmd.FILE_MERGE	params.inputSections.cpmd.fileMergePayload	fileMergePayload	FILE MERGE
catalog.cpmd.FILE_SEPARATION	params.inputSections.cpmd.fileSeparationPayload	fileSeparationPayload	FILE SEPARATION
catalog.cpmd.NO_RESET	params.inputSections.cpmd.noReset	noReset	NO_RESET
catalog.cpmd.FILEPATH	params.inputSections.cpmd.filePath	filePath	FILEPATH
catalog.cpmd.BENCHMARK	params.inputSections.cpmd.benchmark	benchmark	BENCHMARK
catalog.cpmd.MIRROR	params.inputSections.cpmd.mirror	mirror	MIRROR
catalog.cpmd.SHIFT_POTENTIAL	params.inputSections.cpmd.shiftPotential	shiftPotential	SHIFT POTENTIAL
catalog.cpmd.GLOCALIZATION_PARAMETER	params.inputSections.cpmd.glocalizationParameters	glocalizationParameters	GLOCALIZATION PARAMETER
catalog.cpmd.GLOCALIZATION_PARAMETERS	params.inputSections.cpmd.glocalizationParameters	glocalizationParameters	GLOCALIZATION PARAMETERS
catalog.cpmd.GLOCALIZATION_OPTIMIZATION	params.inputSections.cpmd.glocalizationOptimization	glocalizationOptimization	GLOCALIZATION OPTIMIZATION
catalog.cpmd.GLOCALIZATION_OPTIMIZATION_SD	params.inputSections.cpmd.glocalizationOptimization	glocalizationOptimization	GLOCALIZATION OPTIMIZATION SD
catalog.cpmd.GLOCALIZATION_OPTIMIZATION_INTEGRATION	params.inputSections.cpmd.glocalizationOptimization	glocalizationOptimization	GLOCALIZATION OPTIMIZATION INTEGRATION
catalog.cpmd.GFUNCTIONAL_TYPE	params.inputSections.cpmd.gfunctionalType	gfunctionalType	GFUNCTIONAL TYPE
catalog.cpmd.GFUNCTIONAL_TYPE_ZETANUMBER	params.inputSections.cpmd.gfunctionalType	gfunctionalType	GFUNCTIONAL TYPE ZETANUMBER
catalog.cpmd.SPREAD_RSPACE	params.inputSections.cpmd.spreadRspace	spreadRspace	SPREAD RSPACE=
catalog.cpmd.G_UNITARITY_OPTIONS	params.inputSections.cpmd.gUnitarityOptions	gUnitarityOptions	PIPPO
catalog.cpmd.PIPPO	params.inputSections.cpmd.gUnitarityOptions	gUnitarityOptions	PIPPO
catalog.cpmd.PIPPO_LAGRANGE	params.inputSections.cpmd.gUnitarityOptions	gUnitarityOptions	PIPPO LAGRANGE
catalog.cpmd.PIPPO_ORTHO	params.inputSections.cpmd.gUnitarityOptions	gUnitarityOptions	PIPPO ORTHO
catalog.cpmd.PIPPO_APPROX	params.inputSections.cpmd.gUnitarityOptions	gUnitarityOptions	PIPPO APPROX
catalog.cpmd.STEP_TUNING	params.inputSections.cpmd.stepTuning	stepTuning	STEP TUNING
catalog.cpmd.G_ANTISYM	params.inputSections.cpmd.gAntisym	gAntisym	G_ANTISYM
catalog.cpmd.G_ANTISYM_PENALTY	params.inputSections.cpmd.gAntisymPenalty	gAntisymPenalty	G_ANTISYM PENALTY
catalog.cpmd.G_KICK	params.inputSections.cpmd.gKick	gKick	G_KICK
catalog.cpmd.G_COMPLEX	params.inputSections.cpmd.gComplex	gComplex	G_COMPLEX
catalog.cpmd.G_REAL	params.inputSections.cpmd.gReal	gReal	G_REAL
catalog.cpmd.READ_MATRIX	params.inputSections.cpmd.readMatrix	readMatrix	READ MATRIX
catalog.cpmd.G_STEP	params.inputSections.cpmd.gStepTune	gStepTune	G_STEP
catalog.cpmd.G_STEP_TUNE	params.inputSections.cpmd.gStepTune	gStepTune	G_STEP TUNE
catalog.cpmd.GLOC_WFNOUT_REAL	params.inputSections.cpmd.glocWfnOutOptions	glocWfnOutOptions	GLOC WFNOUT REAL
catalog.cpmd.GLOC_WFNOUT_PARTIAL	params.inputSections.cpmd.glocWfnOutOptions	glocWfnOutOptions	GLOC WFNOUT PARTIAL
catalog.cpmd.GLOC_WFNOUT	params.inputSections.cpmd.glocWfnOutOptions	glocWfnOutOptions	GLOC WFNOUT
catalog.cpmd.GLOC_WFNOUT_PAYLOAD	params.inputSections.cpmd.glocWfnOutPayload	glocWfnOutPayload	GLOC WFNOUT payload
catalog.cpmd.NO_GEO_CHECK	params.inputSections.cpmd.noGeoCheck	noGeoCheck	NO_GEO_CHECK
catalog.cpmd.BROKEN	params.inputSections.cpmd.brokenSymmetry	brokenSymmetry	BROKEN
catalog.cpmd.DISTRIBUTED_LINALG	params.inputSections.cpmd.distributedLinalg	distributedLinalg	DISTRIBUTED LINALG
catalog.cpmd.DISTRIBUTED_LINALG_ON	params.inputSections.cpmd.distributedLinalg	distributedLinalg	DISTRIBUTED LINALG ON
catalog.cpmd.LINALG_NEWORTHO	params.inputSections.cpmd.linalgNewOrtho	linalgNewOrtho	LINALG NEWORTHO
catalog.cpmd.LINALG_NEWORTHO_OFF	params.inputSections.cpmd.linalgNewOrtho	linalgNewOrtho	LINALG NEWORTHO OFF
catalog.cpmd.DISORTHO_BSIZE	params.inputSections.cpmd.disorthoBlockSize	disorthoBlockSize	DISORTHO_BSIZE
catalog.cpmd.BLOCKSIZE_STATES	params.inputSections.cpmd.statesBlockSize	statesBlockSize	BLOCKSIZE STATES
catalog.cpmd.ALLTOALL	params.inputSections.cpmd.allToAllPrecision	allToAllPrecision	ALLTOALL
catalog.cpmd.GSHELL	params.inputSections.cpmd.gshell	gshell	GSHELL
catalog.cpmd.LOCAL_POTENTIAL	params.inputSections.cpmd.localPotential	localPotential	LOCAL POTENTIAL
catalog.cpmd.CENTER_MOLECULE_OFF	params.inputSections.cpmd.centerMoleculeOff	centerMoleculeOff	CENTER MOLECULE OFF
catalog.cpmd.CENTER_MOLECULE_ON	params.inputSections.cpmd.centerMoleculeOn	centerMoleculeOn	CENTER MOLECULE ON
catalog.cpmd.CENTER_MOLECULE	params.inputSections.cpmd.centerMoleculeOn	centerMoleculeOn	CENTER MOLECULE
catalog.cpmd.MOLECULE_CENTER	params.inputSections.cpmd.centerMoleculeOn	centerMoleculeOn	MOLECULE CENTER
catalog.cpmd.DIIS	params.inputSections.cpmd.diis	diis	DIIS
catalog.cpmd.ODIIS	params.inputSections.cpmd.odiis	odiis	ODIIS
catalog.cpmd.PCG	params.inputSections.cpmd.pcg	pcg	PCG
catalog.cpmd.DIAGONALIZATION	params.inputSections.cpmd.diagonalization	diagonalization	DIAGONALIZATION
catalog.cpmd.FREE_ENERGY	params.inputSections.cpmd.freeEnergy	freeEnergy	FREE-ENERGY
catalog.cpmd.FREE_ENERGY_FUNCTIONAL	params.inputSections.cpmd.freeEnergy	freeEnergy	FREE ENERGY FUNCTIONAL
catalog.cpmd.INTERFACE	params.inputSections.cpmd.interface	interface	INTERFACE
catalog.cpmd.QMMM	params.inputSections.cpmd.qmmm	qmmm	QMMM
catalog.cpmd.BICANONICAL_ENSEMBLE	params.inputSections.cpmd.bicanonicalEnsemble	bicanonicalEnsemble	BICANONICAL ENSEMBLE
catalog.cpmd.CDFT	params.inputSections.cpmd.cdft	cdft	CDFT
catalog.cpmd.CDFT_OPTIONS	params.inputSections.cpmd.cdftOptions	cdftOptions	CDFT options
catalog.cpmd.CDFT_ALL	params.inputSections.cpmd.cdftOptions	cdftOptions	CDFT ALL
catalog.cpmd.CDFT_NEWTON	params.inputSections.cpmd.cdftOptions	cdftOptions	CDFT NEWTON
catalog.cpmd.CDFT_HDA	params.inputSections.cpmd.cdftOptions	cdftOptions	CDFT HDA
catalog.cpmd.CDFT_PROJECT	params.inputSections.cpmd.cdftOptions	cdftOptions	CDFT PROJECT
catalog.cpmd.CDFT_AUTO	params.inputSections.cpmd.cdftOptions	cdftOptions	CDFT AUTO
catalog.cpmd.CDFT_NOCCOR	params.inputSections.cpmd.cdftOptions	cdftOptions	CDFT NOCCOR
catalog.cpmd.CDFT_RESWF	params.inputSections.cpmd.cdftOptions	cdftOptions	CDFT RESWF
catalog.cpmd.CDFT_PHIOUT	params.inputSections.cpmd.cdftOptions	cdftOptions	CDFT PHIOUT
catalog.cpmd.CDFT_PAYLOAD	params.inputSections.cpmd.cdftPayload	cdftPayload	CDFT payload
catalog.cpmd.CDFT_HDA_PAYLOAD	params.inputSections.cpmd.cdftHdaPayload	cdftHdaPayload	CDFT HDA payload
catalog.cpmd.VGFACTOR	params.inputSections.cpmd.vgfactor	vgfactor	VGFACTOR
catalog.cpmd.VMIRROR	params.inputSections.cpmd.vMirror	vMirror	VMIRROR
catalog.cpmd.COMBINE_SYSTEMS	params.inputSections.cpmd.combineSystemsOptions	combineSystemsOptions	COMBINE SYSTEMS
catalog.cpmd.COMBINE_SYSTEMS_REFLECT	params.inputSections.cpmd.combineSystemsOptions	combineSystemsOptions	COMBINE SYSTEMS REFLECT
catalog.cpmd.COMBINE_SYSTEMS_SAB	params.inputSections.cpmd.combineSystemsOptions	combineSystemsOptions	COMBINE SYSTEMS SAB
catalog.cpmd.COMBINE_SYSTEMS_NONORTH	params.inputSections.cpmd.combineSystemsOptions	combineSystemsOptions	COMBINE SYSTEMS NONORTH
catalog.cpmd.COMBINE_SYSTEMS_PAYLOAD	params.inputSections.cpmd.combineSystemsPayload	combineSystemsPayload	COMBINE SYSTEMS payload
catalog.cpmd.COMBINE_SYSTEMS_SAB_PAYLOAD	params.inputSections.cpmd.combineSystemsSabPayload	combineSystemsSabPayload	COMBINE SYSTEMS SAB payload
catalog.cpmd.KSHAM	params.inputSections.cpmd.kshamOptions	kshamOptions	KSHAM
catalog.cpmd.KSHAM_MATRIX	params.inputSections.cpmd.kshamOptions	kshamOptions	KSHAM MATRIX
catalog.cpmd.KSHAM_ROUT	params.inputSections.cpmd.kshamOptions	kshamOptions	KSHAM ROUT
catalog.cpmd.KSHAM_PAYLOAD	params.inputSections.cpmd.kshamPayload	kshamPayload	KSHAM payload
catalog.cpmd.CZONES	params.inputSections.cpmd.czonesSet	czonesSet	CZONES SET
catalog.cpmd.WOUT	params.inputSections.cpmd.woutOptions	woutOptions	WOUT
catalog.cpmd.WOUT_SLICE	params.inputSections.cpmd.woutOptions	woutOptions	WOUT SLICE
catalog.cpmd.WOUT_PAYLOAD	params.inputSections.cpmd.woutPayload	woutPayload	WOUT payload
catalog.cpmd.XFMQC	params.inputSections.cpmd.xfmqcTrajectories	xfmqcTrajectories	XFMQC
catalog.cpmd.DEBUG	params.inputSections.cpmd.debugOptions	debugOptions	DEBUG
catalog.cpmd.DEBUG_CODE	params.inputSections.cpmd.debugOptions	debugOptions	DEBUG CODE
catalog.cpmd.DEBUG_MEMORY	params.inputSections.cpmd.debugOptions	debugOptions	DEBUG MEMORY
catalog.cpmd.DEBUG_FILEOPEN	params.inputSections.cpmd.debugOptions	debugOptions	DEBUG FILEOPEN
catalog.cpmd.DEBUG_FORCES	params.inputSections.cpmd.debugOptions	debugOptions	DEBUG FORCES
catalog.cpmd.DEBUG_NOACC	params.inputSections.cpmd.debugOptions	debugOptions	DEBUG NOACC
catalog.cpmd.DEBUG_HUBBARD	params.inputSections.cpmd.debugOptions	debugOptions	DEBUG HUBBARD
catalog.cpmd.KOHN_SHAM_ENERGIES	params.inputSections.cpmd.kohnShamEnergiesOptions	kohnShamEnergiesOptions	KOHN-SHAM ENERGIES
catalog.cpmd.KOHN_SHAM_ENERGIES_NOWAVEFUNCTION	params.inputSections.cpmd.kohnShamEnergiesOptions	kohnShamEnergiesOptions	KOHN-SHAM ENERGIES NOWAVEFUNCTION
catalog.cpmd.KOHN_SHAM_ENERGIES_COUNT	params.inputSections.cpmd.kohnShamEnergiesCount	kohnShamEnergiesCount	KOHN-SHAM ENERGIES payload
catalog.cpmd.SURFACE_HOPPING	params.inputSections.cpmd.surfaceHoppingOptions	surfaceHoppingOptions	SURFACE HOPPING
catalog.cpmd.SURFACE_HOPPING_NEW	params.inputSections.cpmd.surfaceHoppingOptions	surfaceHoppingOptions	SURFACE HOPPING NEW
catalog.cpmd.SURFACE_HOPPING_RESTART	params.inputSections.cpmd.surfaceHoppingOptions	surfaceHoppingOptions	SURFACE HOPPING RESTART
catalog.cpmd.SURFACE_HOPPING_SHIFT	params.inputSections.cpmd.surfaceHoppingOptions	surfaceHoppingOptions	SURFACE HOPPING SHIFT=
catalog.cpmd.ROKS	params.inputSections.cpmd.roksOptions	roksOptions	ROKS
catalog.cpmd.ROKS_LOCALIZED	params.inputSections.cpmd.roksOptions	roksOptions	ROKS LOCALIZED
catalog.cpmd.ROKS_TRIPLET	params.inputSections.cpmd.roksOptions	roksOptions	ROKS TRIPLET
catalog.cpmd.ROKS_EXPERT	params.inputSections.cpmd.roksExpertPayload	roksExpertPayload	ROKS EXPERT
catalog.cpmd.ROKS_EXPERT_PAYLOAD	params.inputSections.cpmd.roksExpertPayload	roksExpertPayload	ROKS EXPERT payload
catalog.cpmd.PATH_SAMPLING	params.inputSections.cpmd.pathSampling	pathSampling	PATH SAMPLING
catalog.cpmd.FIXRHO_UPWFN	params.inputSections.cpmd.fixrhoUpwfnOptions	fixrhoUpwfnOptions	FIXRHO UPWFN
catalog.cpmd.FIXRHO_UPWFN_PCG	params.inputSections.cpmd.fixrhoUpwfnOptions	fixrhoUpwfnOptions	FIXRHO UPWFN PCG
catalog.cpmd.FIXRHO_VECT	params.inputSections.cpmd.fixrhoVectors	fixrhoVectors	FIXRHO VECT
catalog.cpmd.FIXRHO_LOOP	params.inputSections.cpmd.fixrhoLoop	fixrhoLoop	FIXRHO LOOP
catalog.cpmd.FIXRHO_WFTOL	params.inputSections.cpmd.fixrhoWftol	fixrhoWftol	FIXRHO WFTOL
catalog.cpmd.BOGOLIUBOV_CORRECTION	params.inputSections.cpmd.bogoliubovCorrection	bogoliubovCorrection	BOGOLIUBOV CORRECTION
catalog.cpmd.BOGOLIUBOV_CORRECTION_OFF	params.inputSections.cpmd.bogoliubovCorrection	bogoliubovCorrection	BOGOLIUBOV CORRECTION OFF
catalog.cpmd.VIBRATIONAL_ANALYSIS	params.inputSections.cpmd.vibrationalAnalysisOptions	vibrationalAnalysisOptions	VIBRATIONAL ANALYSIS
catalog.cpmd.VIBRATIONAL_ANALYSIS_LR	params.inputSections.cpmd.vibrationalAnalysisOptions	vibrationalAnalysisOptions	VIBRATIONAL ANALYSIS LR
catalog.cpmd.VIBRATIONAL_ANALYSIS_IN	params.inputSections.cpmd.vibrationalAnalysisOptions	vibrationalAnalysisOptions	VIBRATIONAL ANALYSIS IN
catalog.cpmd.VIBRATIONAL_ANALYSIS_ACLIMAX	params.inputSections.cpmd.vibrationalAnalysisOptions	vibrationalAnalysisOptions	VIBRATIONAL ANALYSIS ACLIMAX
catalog.cpmd.VIBRATIONAL_ANALYSIS_GAUSS	params.inputSections.cpmd.vibrationalAnalysisOptions	vibrationalAnalysisOptions	VIBRATIONAL ANALYSIS GAUSS
catalog.cpmd.VIBRATIONAL_ANALYSIS_SAMPLE	params.inputSections.cpmd.vibrationalAnalysisSample	vibrationalAnalysisSample	VIBRATIONAL ANALYSIS SAMPLE
catalog.cpmd.VIBRATIONAL_ANALYSIS_MODE	params.inputSections.cpmd.vibrationalAnalysisMode	vibrationalAnalysisMode	VIBRATIONAL ANALYSIS MODE=
catalog.cpmd.ELECTRONIC_SPECTRA	params.inputSections.cpmd.electronicSpectra	electronicSpectra	ELECTRONIC SPECTRA
catalog.cpmd.SPIN_ORBIT_COUPLING	params.inputSections.cpmd.spinOrbitCouplingStates	spinOrbitCouplingStates	SPIN-ORBIT COUPLING
catalog.cpmd.SOC	params.inputSections.cpmd.spinOrbitCouplingStates	spinOrbitCouplingStates	SOC
catalog.cpmd.PROPAGATION_SPECTRA	params.inputSections.cpmd.propagationSpectra	propagationSpectra	PROPAGATION SPECTRA
catalog.cpmd.PROPAGATION_DISTRUB	params.inputSections.cpmd.propagationDistrub	propagationDistrub	PROPAGATION DISTRUB
catalog.cpmd.GAUGEPULSE	params.inputSections.cpmd.gaugePulse	gaugePulse	GAUGEPULSE
catalog.cpmd.GAUGEFIELD	params.inputSections.cpmd.gaugeFieldFrequency	gaugeFieldFrequency	GAUGEFIELD
catalog.cpmd.NACV	params.inputSections.cpmd.nacv	nacv	NACV
catalog.cpmd.ORBITAL_HARDNESS	params.inputSections.cpmd.orbitalHardnessOptions	orbitalHardnessOptions	ORBITAL HARDNESS
catalog.cpmd.ORBITAL_HARDNESS_LR	params.inputSections.cpmd.orbitalHardnessOptions	orbitalHardnessOptions	ORBITAL HARDNESS LR
catalog.cpmd.PATH_INTEGRAL	params.inputSections.cpmd.pathIntegral	pathIntegral	PATH INTEGRAL
catalog.cpmd.PATH_MINIMIZATION	params.inputSections.cpmd.pathMinimization	pathMinimization	PATH MINIMIZATION
catalog.cpmd.LANGEVIN_OPTIONS	params.inputSections.cpmd.langevinOptions	langevinOptions	LANGEVIN
catalog.cpmd.LANGEVIN_CPMD	params.inputSections.cpmd.langevinOptions	langevinOptions	LANGEVIN CPMD
catalog.cpmd.LANGEVIN_OPTIMAL	params.inputSections.cpmd.langevinOptions	langevinOptions	LANGEVIN OPTIMAL
catalog.cpmd.LANGEVIN_SMART	params.inputSections.cpmd.langevinOptions	langevinOptions	LANGEVIN SMART
catalog.cpmd.LANGEVIN_CUSTOM	params.inputSections.cpmd.langevinOptions	langevinOptions	LANGEVIN CUSTOM
catalog.cpmd.LANGEVIN_MOVECM	params.inputSections.cpmd.langevinOptions	langevinOptions	LANGEVIN MOVECM
catalog.cpmd.LANGEVIN_CENTROIDOFF	params.inputSections.cpmd.langevinOptions	langevinOptions	LANGEVIN CENTROIDOFF
catalog.cpmd.LANGEVIN_PARAMETER	params.inputSections.cpmd.langevinParameter	langevinParameter	LANGEVIN payload
catalog.cpmd.QMMMEASY	params.inputSections.cpmd.qmmmEasy	qmmmEasy	QMMMEASY
catalog.cpmd.INTERFACE_OPTIONS	params.inputSections.cpmd.interfaceOptions	interfaceOptions	INTERFACE
catalog.cpmd.INTERFACE_GMX	params.inputSections.cpmd.interfaceOptions	interfaceOptions	INTERFACE GMX
catalog.cpmd.INTERFACE_IPHIGENIE	params.inputSections.cpmd.interfaceOptions	interfaceOptions	INTERFACE IPHIGENIE
catalog.cpmd.INTERFACE_ESP	params.inputSections.cpmd.interfaceOptions	interfaceOptions	INTERFACE ESP
catalog.cpmd.INTERFACE_PCGFIRST	params.inputSections.cpmd.interfaceOptions	interfaceOptions	INTERFACE PCGFIRST
catalog.cpmd.TROTTER_FACTOR	params.inputSections.cpmd.trotterFactorCount	trotterFactorCount	TROTTER FACTOR=
catalog.cpmd.TROTTER_FACTOR_PAYLOAD	params.inputSections.cpmd.trotterFactorPayload	trotterFactorPayload	TROTTER FACTOR payload
catalog.cpmd.TROTTER_FACTORIZATION	params.inputSections.cpmd.trotterFactorization	trotterFactorization	TROTTER FACTORIZATION
catalog.cpmd.TROTTER_FACTORIZATION_OFF	params.inputSections.cpmd.trotterFactorizationOff	trotterFactorizationOff	TROTTER FACTORIZATION OFF
catalog.cpmd.LINEAR_RESPONSE	params.inputSections.cpmd.linearResponse	linearResponse	LINEAR RESPONSE
catalog.cpmd.HARMONIC_REFERENCE	params.inputSections.cpmd.harmonicReference	harmonicReference	HARMONIC REFERENCE
catalog.cpmd.HARMONIC_REFERENCE_SYSTEM	params.inputSections.cpmd.harmonicReference	harmonicReference	HARMONIC REFERENCE SYSTEM
catalog.cpmd.HARMONIC_REFERENCE_OFF	params.inputSections.cpmd.harmonicReference	harmonicReference	HARMONIC REFERENCE OFF
catalog.cpmd.SCALED_MASSES	params.inputSections.cpmd.scaledMasses	scaledMasses	SCALED MASSES
catalog.cpmd.SCALED_MASSES_OFF	params.inputSections.cpmd.scaledMasses	scaledMasses	SCALED MASSES OFF
catalog.cpmd.TDDFT	params.inputSections.cpmd.tddft	tddft	TDDFT
catalog.cpmd.LSD	params.inputSections.cpmd.lsd	lsd	LSD
catalog.cpmd.LOCAL_SPIN_DENSITY	params.inputSections.cpmd.lsd	lsd	LOCAL SPIN DENSITY
catalog.cpmd.SSIC	params.inputSections.cpmd.ssic	ssic	SSIC
catalog.cpmd.NONORTHOGONAL_ORBITALS	params.inputSections.cpmd.nonorthogonalOrbitalsOptions	nonorthogonalOrbitalsOptions	NONORTHOGONAL ORBITALS
catalog.cpmd.NONORTHOGONAL_ORBITALS_ON	params.inputSections.cpmd.nonorthogonalOrbitalsOptions	nonorthogonalOrbitalsOptions	NONORTHOGONAL ORBITALS ON
catalog.cpmd.NONORTHOGONAL_ORBITALS_LIMIT	params.inputSections.cpmd.nonorthogonalOrbitalsLimit	nonorthogonalOrbitalsLimit	NONORTHOGONAL ORBITALS payload
catalog.cpmd.LANCZOS_DIAGONALIZATION	params.inputSections.cpmd.lanczosDiagonalizationOptions	lanczosDiagonalizationOptions	LANCZOS DIAGONALIZATION
catalog.cpmd.LANCZOS_ALL	params.inputSections.cpmd.lanczosDiagonalizationOptions	lanczosDiagonalizationOptions	LANCZOS ALL
catalog.cpmd.LANCZOS_NEW	params.inputSections.cpmd.lanczosDiagonalizationOptions	lanczosDiagonalizationOptions	LANCZOS NEW
catalog.cpmd.LANCZOS_PERIODIC	params.inputSections.cpmd.lanczosDiagonalizationOptions	lanczosDiagonalizationOptions	LANCZOS PERIODIC
catalog.cpmd.LANCZOS_RESET	params.inputSections.cpmd.lanczosDiagonalizationOptions	lanczosDiagonalizationOptions	LANCZOS RESET
catalog.cpmd.LANCZOS_PARAMETERS	params.inputSections.cpmd.lanczosParametersCount	lanczosParametersCount	LANCZOS PARAMETERS N=
catalog.cpmd.LANCZOS_PARAMETER	params.inputSections.cpmd.lanczosParametersCount	lanczosParametersCount	LANCZOS PARAMETER
catalog.cpmd.LANCZOS_PARAMETERS_PAYLOAD	params.inputSections.cpmd.lanczosParametersPayload	lanczosParametersPayload	LANCZOS PARAMETERS payload
catalog.cpmd.DAVIDSON_DIAGONALIZATION	params.inputSections.cpmd.davidsonDiagonalization	davidsonDiagonalization	DAVIDSON DIAGONALIZATION
catalog.cpmd.DAVIDSON_PARAMETERS	params.inputSections.cpmd.davidsonParameters	davidsonParameters	DAVIDSON PARAMETERS
catalog.cpmd.DAVIDSON_PARAMETER	params.inputSections.cpmd.davidsonParameters	davidsonParameters	DAVIDSON PARAMETER
catalog.cpmd.ALEXANDER_MIXING	params.inputSections.cpmd.alexanderMixing	alexanderMixing	ALEXANDER MIXING
catalog.cpmd.ANDERSON_MIXING	params.inputSections.cpmd.andersonMixingGspace	andersonMixingGspace	ANDERSON MIXING G-SPACE
catalog.cpmd.ANDERSON_MIXING	params.inputSections.cpmd.andersonMixingCount	andersonMixingCount	ANDERSON MIXING N=
catalog.cpmd.ANDERSON_MIXING_GSPACE	params.inputSections.cpmd.andersonMixingGspace	andersonMixingGspace	ANDERSON MIXING G-SPACE
catalog.cpmd.ANDERSON_MIXING_PAYLOAD	params.inputSections.cpmd.andersonMixingPayload	andersonMixingPayload	ANDERSON MIXING payload
catalog.cpmd.BROYDEN_MIXING	params.inputSections.cpmd.broydenMixingOptions	broydenMixingOptions	BROYDEN MIXING
catalog.cpmd.BROYDEN_MIXING_ADAPT	params.inputSections.cpmd.broydenMixingOptions	broydenMixingOptions	BROYDEN MIXING ADAPT
catalog.cpmd.BROYDEN_MIXING_MIX	params.inputSections.cpmd.broydenMixingPayload	broydenMixingPayload	BROYDEN MIXING MIX
catalog.cpmd.BROYDEN_MIXING_CUTBROY	params.inputSections.cpmd.broydenMixingPayload	broydenMixingPayload	BROYDEN MIXING CUTBROY
catalog.cpmd.BROYDEN_MIXING_W02	params.inputSections.cpmd.broydenMixingPayload	broydenMixingPayload	BROYDEN MIXING W02
catalog.cpmd.BROYDEN_MIXING_NFRBROY	params.inputSections.cpmd.broydenMixingPayload	broydenMixingPayload	BROYDEN MIXING NFRBROY
catalog.cpmd.BROYDEN_MIXING_RESET	params.inputSections.cpmd.broydenMixingPayload	broydenMixingPayload	BROYDEN MIXING RESET
catalog.cpmd.BROYDEN_MIXING_KERMIX	params.inputSections.cpmd.broydenMixingPayload	broydenMixingPayload	BROYDEN MIXING KERMIX
catalog.cpmd.BROYDEN_MIXING_PAYLOAD	params.inputSections.cpmd.broydenMixingPayload	broydenMixingPayload	BROYDEN MIXING payload
catalog.cpmd.DIIS_MIXING	params.inputSections.cpmd.diisMixingCount	diisMixingCount	DIIS MIXING N=
catalog.cpmd.DIIS_MIXING_PAYLOAD	params.inputSections.cpmd.diisMixingPayload	diisMixingPayload	DIIS MIXING payload
catalog.cpmd.MOVERHO	params.inputSections.cpmd.moverhoMixing	moverhoMixing	MOVERHO
catalog.cpmd.EXTRAPOLATE_WFN	params.inputSections.cpmd.extrapolateWfnOptions	extrapolateWfnOptions	EXTRAPOLATE WFN
catalog.cpmd.EXTRAPOLATE_WFN_STORE	params.inputSections.cpmd.extrapolateWfnOptions	extrapolateWfnOptions	EXTRAPOLATE WFN STORE
catalog.cpmd.EXTRAPOLATE_WFN_ASPC	params.inputSections.cpmd.extrapolateWfnOptions	extrapolateWfnOptions	EXTRAPOLATE WFN ASPC
catalog.cpmd.EXTRAPOLATE_WFN_CSTEPS	params.inputSections.cpmd.extrapolateWfnOptions	extrapolateWfnOptions	EXTRAPOLATE WFN CSTEPS
catalog.cpmd.EXTRAPOLATE_WFN_ORDER	params.inputSections.cpmd.extrapolateWfnOrder	extrapolateWfnOrder	EXTRAPOLATE WFN payload
catalog.cpmd.EXTRAPOLATE_CONSTRAINT	params.inputSections.cpmd.extrapolateConstraintOrder	extrapolateConstraintOrder	EXTRAPOLATE CONSTRAINT
catalog.cpmd.TSDE	params.inputSections.cpmd.tsdeOptions	tsdeOptions	TSDE
catalog.cpmd.TSDE_NOPREC	params.inputSections.cpmd.tsdeOptions	tsdeOptions	TSDE NOPREC
catalog.cpmd.TSDP	params.inputSections.cpmd.tsdpOptions	tsdpOptions	TSDP
catalog.cpmd.TSDP_LINE	params.inputSections.cpmd.tsdpOptions	tsdpOptions	TSDP LINE
catalog.cpmd.TCGP	params.inputSections.cpmd.tcgp	tcgp	TCGP
catalog.cpmd.TSDC	params.inputSections.cpmd.tsdc	tsdc	TSDC
catalog.cpmd.STEEPEST_DESCENT	params.inputSections.cpmd.steepestDescentOptions	steepestDescentOptions	STEEPEST DESCENT
catalog.cpmd.STEEPEST_DESCENT_ELECTRONS	params.inputSections.cpmd.steepestDescentOptions	steepestDescentOptions	STEEPEST DESCENT ELECTRONS
catalog.cpmd.STEEPEST_DESCENT_NOPREC	params.inputSections.cpmd.steepestDescentOptions	steepestDescentOptions	STEEPEST DESCENT NOPREC
catalog.cpmd.STEEPEST_DESCENT_IONS	params.inputSections.cpmd.steepestDescentOptions	steepestDescentOptions	STEEPEST DESCENT IONS
catalog.cpmd.STEEPEST_DESCENT_LINE	params.inputSections.cpmd.steepestDescentOptions	steepestDescentOptions	STEEPEST DESCENT LINE
catalog.cpmd.STEEPEST_DESCENT_CELL	params.inputSections.cpmd.steepestDescentOptions	steepestDescentOptions	STEEPEST DESCENT CELL
catalog.cpmd.CONJUGATE_GRADIENT	params.inputSections.cpmd.conjugateGradientOptions	conjugateGradientOptions	CONJUGATE GRADIENT
catalog.cpmd.CONJUGATE_GRADIENTS	params.inputSections.cpmd.conjugateGradientOptions	conjugateGradientOptions	CONJUGATE GRADIENTS
catalog.cpmd.CONJUGATE_GRADIENT_ELECTRONS	params.inputSections.cpmd.conjugateGradientOptions	conjugateGradientOptions	CONJUGATE GRADIENT ELECTRONS
catalog.cpmd.CONJUGATE_GRADIENT_NOPREC	params.inputSections.cpmd.conjugateGradientOptions	conjugateGradientOptions	CONJUGATE GRADIENT NOPREC
catalog.cpmd.CONJUGATE_GRADIENT_MINIMIZE	params.inputSections.cpmd.conjugateGradientOptions	conjugateGradientOptions	CONJUGATE GRADIENT MINIMIZE
catalog.cpmd.CONJUGATE_GRADIENT_IONS	params.inputSections.cpmd.conjugateGradientOptions	conjugateGradientOptions	CONJUGATE GRADIENT IONS
catalog.cpmd.ODIIS_OPTIONS	params.inputSections.cpmd.odiisOptions	odiisOptions	ODIIS
catalog.cpmd.ODIIS_NOPREC	params.inputSections.cpmd.odiisOptions	odiisOptions	ODIIS NOPREC
catalog.cpmd.ODIIS_NO_RESET	params.inputSections.cpmd.odiisOptions	odiisOptions	ODIIS NO_RESET
catalog.cpmd.ODIIS_VECTORS	params.inputSections.cpmd.odiisVectors	odiisVectors	ODIIS payload
catalog.cpmd.HAMILTONIAN_CUTOFF	params.inputSections.cpmd.hamiltonianCutoff	hamiltonianCutoff	HAMILTONIAN CUTOFF
catalog.cpmd.GDIIS	params.inputSections.cpmd.gdiisVectors	gdiisVectors	GDIIS
catalog.cpmd.LBFGS	params.inputSections.cpmd.lbfgsOptions	lbfgsOptions	LBFGS
catalog.cpmd.LBFGS_NREM	params.inputSections.cpmd.lbfgsOptions	lbfgsOptions	LBFGS NREM
catalog.cpmd.LBFGS_PAYLOAD	params.inputSections.cpmd.lbfgsPayload	lbfgsPayload	LBFGS payload
catalog.cpmd.LBFGS_NTRUST	params.inputSections.cpmd.lbfgsNtrust	lbfgsNtrust	LBFGS NTRUST
catalog.cpmd.LBFGS_NRESTT	params.inputSections.cpmd.lbfgsNrestt	lbfgsNrestt	LBFGS NRESTT
catalog.cpmd.LBFGS_NTRSTR	params.inputSections.cpmd.lbfgsNtrstr	lbfgsNtrstr	LBFGS NTRSTR
catalog.cpmd.LBFGS_TRUSTR	params.inputSections.cpmd.lbfgsTrustr	lbfgsTrustr	LBFGS TRUSTR
catalog.cpmd.PRFO	params.inputSections.cpmd.prfoOptions	prfoOptions	PRFO
catalog.cpmd.PRFO_NVAR	params.inputSections.cpmd.prfoOptions	prfoOptions	PRFO NVAR
catalog.cpmd.PRFO_PAYLOAD	params.inputSections.cpmd.prfoPayload	prfoPayload	PRFO payload
catalog.cpmd.PRFO_MODE	params.inputSections.cpmd.prfoMode	prfoMode	PRFO MODE
catalog.cpmd.PRFO_MDLOCK	params.inputSections.cpmd.prfoMdlock	prfoMdlock	PRFO MDLOCK
catalog.cpmd.PRFO_TOLENV	params.inputSections.cpmd.prfoTolenv	prfoTolenv	PRFO TOLENV
catalog.cpmd.PRFO_TRUSTP	params.inputSections.cpmd.prfoTrustp	prfoTrustp	PRFO TRUSTP
catalog.cpmd.PRFO_OMIN	params.inputSections.cpmd.prfoOmin	prfoOmin	PRFO OMIN
catalog.cpmd.PRFO_NSVIB	params.inputSections.cpmd.prfoNsvib	prfoNsvib	PRFO NSVIB
catalog.cpmd.PRFO_CORE	params.inputSections.cpmd.prfoCoreAtoms	prfoCoreAtoms	PRFO CORE=
catalog.cpmd.PRFO_NSMAXP	params.inputSections.cpmd.prfoNsmaxp	prfoNsmaxp	PRFO NSMAXP
catalog.cpmd.PRFO_PRJHES	params.inputSections.cpmd.prfoProjectedHessian	prfoProjectedHessian	PRFO PRJHES
catalog.cpmd.PRFO_DISPL	params.inputSections.cpmd.prfoDisplacement	prfoDisplacement	PRFO DISPL
catalog.cpmd.PRFO_HESSTYPE	params.inputSections.cpmd.prfoHessianType	prfoHessianType	PRFO HESSTYPE
catalog.cpmd.HESSCORE	params.inputSections.cpmd.hesscore	hesscore	HESSCORE
catalog.cpmd.BFGS	params.inputSections.cpmd.bfgs	bfgs	BFGS
catalog.cpmd.RFO	params.inputSections.cpmd.rfoOrder	rfoOrder	RFO ORDER=
catalog.cpmd.RFO_ORDER	params.inputSections.cpmd.rfoOrder	rfoOrder	RFO ORDER=nsorder
catalog.cpmd.INR_PARAMETER	params.inputSections.cpmd.inrParametersCount	inrParametersCount	INR PARAMETER N=
catalog.cpmd.INR_PARAMETERS	params.inputSections.cpmd.inrParametersCount	inrParametersCount	INR PARAMETERS N=
catalog.cpmd.TURBOCICCIO_PARAMETER	params.inputSections.cpmd.inrParametersCount	inrParametersCount	TURBOCICCIO PARAMETER N=
catalog.cpmd.TURBOCICCIO_PARAMETERS	params.inputSections.cpmd.inrParametersCount	inrParametersCount	TURBOCICCIO PARAMETERS N=
catalog.cpmd.INR_PARAMETERS_PAYLOAD	params.inputSections.cpmd.inrParametersPayload	inrParametersPayload	INR PARAMETERS payload
catalog.cpmd.TURBOCICCIO	params.inputSections.cpmd.implicitNewtonOptions	implicitNewtonOptions	TURBOCICCIO
catalog.cpmd.IMPLICIT_NEWTON	params.inputSections.cpmd.implicitNewtonOptions	implicitNewtonOptions	IMPLICIT NEWTON
catalog.cpmd.IMPLICIT_NEWTON_CONTINUE	params.inputSections.cpmd.implicitNewtonOptions	implicitNewtonOptions	IMPLICIT NEWTON CONTINUE
catalog.cpmd.IMPLICIT_NEWTON_PRECONDITIONED	params.inputSections.cpmd.implicitNewtonOptions	implicitNewtonOptions	IMPLICIT NEWTON PRECONDITIONED
catalog.cpmd.IMPLICIT_NEWTON_ALTERNATIVE	params.inputSections.cpmd.implicitNewtonOptions	implicitNewtonOptions	IMPLICIT NEWTON ALTERNATIVE
catalog.cpmd.IMPLICIT_NEWTON_STEP	params.inputSections.cpmd.implicitNewtonOptions	implicitNewtonOptions	IMPLICIT NEWTON STEP
catalog.cpmd.IMPLICIT_NEWTON_VERBOSE	params.inputSections.cpmd.implicitNewtonOptions	implicitNewtonOptions	IMPLICIT NEWTON VERBOSE
catalog.cpmd.IMPLICIT_NEWTON_MAXITER	params.inputSections.cpmd.implicitNewtonMaxIter	implicitNewtonMaxIter	IMPLICIT NEWTON payload
catalog.cpmd.MIXSD	params.inputSections.cpmd.mixsd	mixsd	MIXSD
catalog.cpmd.MIXDIIS	params.inputSections.cpmd.mixdiis	mixdiis	MIXDIIS
catalog.cpmd.RESTART_OPTIONS	params.inputSections.cpmd.restartOptions	restartOptions	RESTART
catalog.cpmd.RESTART_COORDINATES	params.inputSections.cpmd.restartOptions	restartOptions	RESTART COORDINATES
catalog.cpmd.RESTART_WAVEFUNCTION_OPTION	params.inputSections.cpmd.restartOptions	restartOptions	RESTART WAVEFUNCTION option
catalog.cpmd.RESTART_ALL	params.inputSections.cpmd.restartOptions	restartOptions	RESTART ALL
catalog.cpmd.INTFILE	params.inputSections.cpmd.intFileOptions	intFileOptions	INTFILE
catalog.cpmd.INTFILE_READ	params.inputSections.cpmd.intFileOptions	intFileOptions	INTFILE READ
catalog.cpmd.INTFILE_WRITE	params.inputSections.cpmd.intFileOptions	intFileOptions	INTFILE WRITE
catalog.cpmd.INTFILE_FILENAME	params.inputSections.cpmd.intFileOptions	intFileOptions	INTFILE FILENAME
catalog.cpmd.INTFILE_NAME	params.inputSections.cpmd.intFileName	intFileName	INTFILE filename
catalog.cpmd.INITIALIZE_WAVEFUNCTION	params.inputSections.cpmd.initializeWavefunctionOptions	initializeWavefunctionOptions	INITIALIZE WAVEFUNCTION
catalog.cpmd.INITIALIZE_WAVEFUNCTION_ATOMIC	params.inputSections.cpmd.initializeWavefunctionOptions	initializeWavefunctionOptions	INITIALIZE WAVEFUNCTION ATOMIC
catalog.cpmd.INITIALIZE_WAVEFUNCTION_PRIMITIVE	params.inputSections.cpmd.initializeWavefunctionOptions	initializeWavefunctionOptions	INITIALIZE WAVEFUNCTION PRIMITIVE
catalog.cpmd.RATTLE_PARAMETERS	params.inputSections.cpmd.rattleParameters	rattleParameters	RATTLE payload
catalog.cpmd.ORTHOGONALIZATION	params.inputSections.cpmd.orthogonalizationOptions	orthogonalizationOptions	ORTHOGONALIZATION
catalog.cpmd.ORTHOGONALIZATION_LOWDIN	params.inputSections.cpmd.orthogonalizationOptions	orthogonalizationOptions	ORTHOGONALIZATION LOWDIN
catalog.cpmd.ORTHOGONALIZATION_MATRIX	params.inputSections.cpmd.orthogonalizationOptions	orthogonalizationOptions	ORTHOGONALIZATION MATRIX
catalog.cpmd.QUENCH_OPTIONS	params.inputSections.cpmd.quenchOptions	quenchOptions	QUENCH
catalog.cpmd.QUENCH_IONS	params.inputSections.cpmd.quenchOptions	quenchOptions	QUENCH IONS
catalog.cpmd.QUENCH_ELECTRONS	params.inputSections.cpmd.quenchOptions	quenchOptions	QUENCH ELECTRONS
catalog.cpmd.QUENCH_BO	params.inputSections.cpmd.quenchOptions	quenchOptions	QUENCH BO
catalog.cpmd.QUENCH_CELL	params.inputSections.cpmd.quenchOptions	quenchOptions	QUENCH CELL
catalog.cpmd.RANDOMIZE	params.inputSections.cpmd.randomizeOptions	randomizeOptions	RANDOMIZE
catalog.cpmd.RANDOMIZE_DENSITY	params.inputSections.cpmd.randomizeOptions	randomizeOptions	RANDOMIZE DENSITY
catalog.cpmd.RANDOMIZE_AMPLITUDE	params.inputSections.cpmd.randomizeAmplitude	randomizeAmplitude	RANDOMIZE payload
catalog.cpmd.USE_MTS	params.inputSections.cpmd.useMts	useMts	USE_MTS
catalog.cpmd.NABDY_ZMAX	params.inputSections.cpmd.nabdyZmax	nabdyZmax	NABDY_ZMAX
catalog.cpmd.NABDY_SOFT	params.inputSections.cpmd.nabdySoft	nabdySoft	NABDY_SOFT
catalog.cpmd.NABDY_REDISTR_AMPLI	params.inputSections.cpmd.nabdyRedistributeAmplitude	nabdyRedistributeAmplitude	NABDY_REDISTR_AMPLI
catalog.cpmd.NABDY_SCALEP	params.inputSections.cpmd.nabdyScaleP	nabdyScaleP	NABDY_SCALEP
catalog.cpmd.NABDY_THERMO	params.inputSections.cpmd.nabdyThermo	nabdyThermo	NABDY_THERMO
catalog.cpmd.PROPERTIES	params.inputSections.cpmd.properties	properties	PROPERTIES
catalog.cpmd.VDW_CORRECTION	params.inputSections.cpmd.vdwCorrection	vdwCorrection	VDW CORRECTION
catalog.cpmd.VDW_CORRECTION_ON	params.inputSections.cpmd.vdwCorrection	vdwCorrection	VDW CORRECTION ON
catalog.cpmd.VDW_WANNIER	params.inputSections.cpmd.vdwWannier	vdwWannier	VDW WANNIER
catalog.cpmd.VDW_WANNIER_OFF	params.inputSections.cpmd.vdwWannier	vdwWannier	VDW WANNIER OFF
catalog.cpmd.DCACP	params.inputSections.cpmd.dcacp	dcacp	DCACP

Typed &DFT controls

CPMDDftSection exposes common DFT scalars directly. Parser-accepted escape-hatch rows use directives so callers can still discover the catalog ID without a dedicated scalar field.

Catalog feature ID	Parameter feature ID	Field	Deck keyword
catalog.dft.FUNCTIONAL	params.inputSections.dft.functional	functional	FUNCTIONAL
catalog.dft.USE_CP	params.inputSections.dft.directives	directives	USE_CP
catalog.dft.USE_LIBXC	params.inputSections.dft.directives	directives	USE_LIBXC
catalog.dft.LSD	params.inputSections.dft.lsd	lsd	LSD
catalog.dft.GC_CUTOFF	params.inputSections.dft.gcCutoff	gcCutoff	GC-CUTOFF
catalog.dft.LIBRARY	params.inputSections.dft.directives	directives	LIBRARY
catalog.dft.KERNEL_LIBRARY	params.inputSections.dft.directives	directives	KERNEL_LIBRARY
catalog.dft.MTS_LOW_FUNC_LIBRARY	params.inputSections.dft.directives	directives	MTS_LOW_FUNC_LIBRARY
catalog.dft.SCALES	params.inputSections.dft.directives	directives	SCALES
catalog.dft.KERNEL_SCALES	params.inputSections.dft.directives	directives	KERNEL_SCALES
catalog.dft.MTS_LOW_FUNC_SCALES	params.inputSections.dft.directives	directives	MTS_LOW_FUNC_SCALES
catalog.dft.COMPATIBILITY	params.inputSections.dft.directives	directives	COMPATIBILITY
catalog.dft.ANALYTICAL_DIV	params.inputSections.dft.directives	directives	ANALYTICAL_DIV
catalog.dft.NUMERICAL_DIV	params.inputSections.dft.directives	directives	NUMERICAL_DIV
catalog.dft.PBE_FLEX_KAPPA	params.inputSections.dft.directives	directives	PBE_FLEX_KAPPA
catalog.dft.PBE_FLEX_MU	params.inputSections.dft.directives	directives	PBE_FLEX_MU
catalog.dft.PBE_FLEX_BETA	params.inputSections.dft.directives	directives	PBE_FLEX_BETA
catalog.dft.PBE_FLEX_GAMMA	params.inputSections.dft.directives	directives	PBE_FLEX_GAMMA
catalog.dft.PBE_FLEX_UEG_CORRELATION	params.inputSections.dft.directives	directives	PBE_FLEX_UEG_CORRELATION
catalog.dft.GRADIENT_CORRECTION	params.inputSections.dft.directives	directives	GRADIENT CORRECTION
catalog.dft.HARTREE_FOCK	params.inputSections.dft.directives	directives	HARTREE-FOCK
catalog.dft.HARTREE	params.inputSections.dft.directives	directives	HARTREE
catalog.dft.SLATER	params.inputSections.dft.directives	directives	SLATER
catalog.dft.LDA_CORRELATION	params.inputSections.dft.directives	directives	LDA CORRELATION
catalog.dft.OLDCODE	params.inputSections.dft.oldCode	oldCode	OLDCODE
catalog.dft.NEWCODE	params.inputSections.dft.newCode	newCode	NEWCODE
catalog.dft.XC_DRIVER	params.inputSections.dft.xcDriver	xcDriver	XC_DRIVER
catalog.dft.LIBXC	params.inputSections.dft.libxc	libxc	LIBXC
catalog.dft.LR_KERNEL	params.inputSections.dft.lrKernel	lrKernel	LR KERNEL
catalog.dft.REFUNCT	params.inputSections.dft.refunct	refunct	REFUNCT
catalog.dft.MTS_HIGH_FUNC	params.inputSections.dft.mtsHighFunc	mtsHighFunc	MTS_HIGH_FUNC
catalog.dft.MTS_LOW_FUNC	params.inputSections.dft.mtsLowFunc	mtsLowFunc	MTS_LOW_FUNC
catalog.dft.HFX	params.inputSections.dft.hfx	hfx	HFX
catalog.dft.HFX_BLOCK_SIZE	params.inputSections.dft.directives	directives	HFX_BLOCK_SIZE
catalog.dft.SCALED_EXCHANGE	params.inputSections.dft.directives	directives	SCALED EXCHANGE
catalog.dft.HFX_DISTRIBUTION	params.inputSections.dft.directives	directives	HFX_DISTRIBUTION
catalog.dft.RANGE_SEPARATION	params.inputSections.dft.directives	directives	RANGE SEPARATION
catalog.dft.SCREENED_EXCHANGE	params.inputSections.dft.directives	directives	SCREENED EXCHANGE
catalog.dft.BECKE_BETA	params.inputSections.dft.directives	directives	BECKE BETA
catalog.dft.EXCHANGE_TABLE	params.inputSections.dft.directives	directives	EXCHANGE TABLE
catalog.dft.HFX_SCALE	params.inputSections.dft.directives	directives	HFX_SCALE
catalog.dft.KERNEL_HFX_SCALE	params.inputSections.dft.directives	directives	KERNEL_HFX_SCALE
catalog.dft.MTS_LOW_FUNC_HFX_SCALE	params.inputSections.dft.directives	directives	MTS_LOW_FUNC_HFX_SCALE
catalog.dft.PHFX	params.inputSections.dft.directives	directives	PHFX
catalog.dft.PXGC	params.inputSections.dft.directives	directives	PXGC
catalog.dft.PCGC	params.inputSections.dft.directives	directives	PCGC
catalog.dft.PXLDA	params.inputSections.dft.directives	directives	PXLDA
catalog.dft.PCLDA	params.inputSections.dft.directives	directives	PCLDA
catalog.dft.HFX_SCREENING	params.inputSections.dft.hfxScreening	hfxScreening	HFX-SCREENING
catalog.dft.ACM0	params.inputSections.dft.directives	directives	ACM0
catalog.dft.ACM1	params.inputSections.dft.directives	directives	ACM1
catalog.dft.ACM3	params.inputSections.dft.directives	directives	ACM3
catalog.dft.FORCE_NEW_HFX	params.inputSections.dft.directives	directives	FORCE_NEW_HFX
catalog.dft.SMOOTHING	params.inputSections.dft.directives	directives	SMOOTHING
catalog.dft.HUBBARD	params.inputSections.dft.hubbard	hubbard	HUBBARD
catalog.dft.CORRELATION	params.inputSections.dft.correlation	correlation	CORRELATION
catalog.dft.EXCHANGE	params.inputSections.dft.exchange	exchange	EXCHANGE
catalog.dft.BECKE88	params.inputSections.dft.becke88	becke88	BECKE88
catalog.dft.ALPHA	params.inputSections.dft.alpha	alpha	ALPHA
catalog.dft.BETA	params.inputSections.dft.beta	beta	BETA

catalog.dft.FUNCTIONAL_* IDs name accepted functional values:

Feature ID	functional value
catalog.dft.FUNCTIONAL_LDA	LDA
catalog.dft.FUNCTIONAL_NONE	NONE
catalog.dft.FUNCTIONAL_SONLY	SONLY
catalog.dft.FUNCTIONAL_BONLY	BONLY
catalog.dft.FUNCTIONAL_BP	BP
catalog.dft.FUNCTIONAL_BP86	BP86
catalog.dft.FUNCTIONAL_BLYP	BLYP
catalog.dft.FUNCTIONAL_GGA	GGA
catalog.dft.FUNCTIONAL_PW91	PW91
catalog.dft.FUNCTIONAL_PBE	PBE
catalog.dft.FUNCTIONAL_REVPBE	REVPBE
catalog.dft.FUNCTIONAL_HCTH	HCTH
catalog.dft.FUNCTIONAL_OPTX	OPTX
catalog.dft.FUNCTIONAL_OLYP	OLYP
catalog.dft.FUNCTIONAL_XLYP	XLYP
catalog.dft.FUNCTIONAL_B3LYP	B3LYP
catalog.dft.FUNCTIONAL_B1LYP	B1LYP
catalog.dft.FUNCTIONAL_PBE0	PBE0
catalog.dft.FUNCTIONAL_REVPBE0	REVPBE0
catalog.dft.FUNCTIONAL_ZPBE0	ZPBE0
catalog.dft.FUNCTIONAL_XPBE0	XPBE0
catalog.dft.FUNCTIONAL_PBES	PBES
catalog.dft.FUNCTIONAL_PBE1W	PBE1W
catalog.dft.FUNCTIONAL_TPSS	TPSS
catalog.dft.FUNCTIONAL_HARTREE	HARTREE
catalog.dft.FUNCTIONAL_HARTREE_FOCK	HARTREE-FOCK
catalog.dft.FUNCTIONAL_HSE06	HSE06
catalog.dft.FUNCTIONAL_ACM0	ACM0
catalog.dft.FUNCTIONAL_ACM1	ACM1
catalog.dft.FUNCTIONAL_ACM3	ACM3
catalog.dft.FUNCTIONAL_OLDX3LYP	OLDX3LYP
catalog.dft.FUNCTIONAL_MODX3LYP	MODX3LYP
catalog.dft.FUNCTIONAL_X3LYP	X3LYP
catalog.dft.FUNCTIONAL_OLDB3LYP	OLDB3LYP
catalog.dft.FUNCTIONAL_MODB3LYP	MODB3LYP
catalog.dft.FUNCTIONAL_OLDB1LYP	OLDB1LYP
catalog.dft.FUNCTIONAL_MODB1LYP	MODB1LYP
catalog.dft.FUNCTIONAL_SAOP	SAOP
catalog.dft.FUNCTIONAL_LB94	LB94
catalog.dft.FUNCTIONAL_GLLB	GLLB

PotentialConfig

For rgpot / multi-backend configure RPCs, PotentialConfig is a tagged union with cpmd @2 :CPMDParams (ordinal aligned with the shared schema; nwchem @1 is reserved void in this package).