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molfile_qm_t Struct Reference

#include <molfile_plugin.h>

List of all members.

Public Attributes
molfile_qm_sysinfo_t	run
molfile_qm_basis_t	basis
molfile_qm_hessian_t	hess

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Detailed Description

QM related information that is timestep independent

Definition at line 468 of file molfile_plugin.h.

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Member Data Documentation

molfile_qm_basis_t molfile_qm_t::basis

Definition at line 470 of file molfile_plugin.h. Referenced by read_basis_rundata, read_cpmdlog_rundata, read_gamess_rundata, read_gaussian_rundata, read_molden_rundata, read_orca_rundata, and read_qcschema_rundata.

molfile_qm_hessian_t molfile_qm_t::hess

Definition at line 471 of file molfile_plugin.h. Referenced by read_gamess_rundata, read_molden_rundata, read_orca_rundata, and read_qcschema_rundata.

molfile_qm_sysinfo_t molfile_qm_t::run

Definition at line 469 of file molfile_plugin.h. Referenced by read_cpmdlog_rundata, read_gamess_rundata, read_gaussian_rundata, read_molden_rundata, read_orca_rundata, and read_qcschema_rundata.

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The documentation for this struct was generated from the following file:

• molfile_plugin.h

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