.. index:: pair: struct; CPMDCChargeIntegrals .. _doxid-struct_c_p_m_d_c_charge_integrals: struct CPMDCChargeIntegrals =========================== .. toctree:: :hidden: Overview ~~~~~~~~ OpenCPMD ``chrg_t`` density integrals (post-SCF module state). :ref:`More...` .. ref-code-block:: cpp :class: doxyrest-overview-code-block #include struct CPMDCChargeIntegrals { // fields int :ref:`valid`; double :ref:`csumg`; double :ref:`csumr`; double :ref:`csums`; double :ref:`csumsabs`; }; .. _details-struct_c_p_m_d_c_charge_integrals: Detailed Documentation ~~~~~~~~~~~~~~~~~~~~~~ OpenCPMD ``chrg_t`` density integrals (post-SCF module state). Fields ------ .. index:: pair: variable; valid .. _doxid-struct_c_p_m_d_c_charge_integrals_1a0d192c660b5e55121b4a0e001da82bc9: .. ref-code-block:: cpp :class: doxyrest-title-code-block int valid Non-zero when the snapshot was written. .. index:: pair: variable; csumg .. _doxid-struct_c_p_m_d_c_charge_integrals_1ac1647c1b8130835da878b36698acc333: .. ref-code-block:: cpp :class: doxyrest-title-code-block double csumg ``csumg`` from OpenCPMD ``chrg``, electrons. .. index:: pair: variable; csumr .. _doxid-struct_c_p_m_d_c_charge_integrals_1afae80503e8a13771e129b991a900690a: .. ref-code-block:: cpp :class: doxyrest-title-code-block double csumr ``csumr`` from OpenCPMD ``chrg``, electrons. .. index:: pair: variable; csums .. _doxid-struct_c_p_m_d_c_charge_integrals_1acb1e9588b5b90337f3fd1ac786bb6800: .. ref-code-block:: cpp :class: doxyrest-title-code-block double csums ``csums`` from OpenCPMD ``chrg``, electrons. .. index:: pair: variable; csumsabs .. _doxid-struct_c_p_m_d_c_charge_integrals_1a7b2d031dcf7ede95440c7ad96cb80b17: .. ref-code-block:: cpp :class: doxyrest-title-code-block double csumsabs ``csumsabs`` from OpenCPMD ``chrg``, electrons.