Main Page   Namespace List   Class Hierarchy   Alphabetical List   Compound List   File List   Namespace Members   Compound Members   File Members   Related Pages  

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


Detailed Description

QM related information that is timestep independent

Definition at line 468 of file molfile_plugin.h.


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, and read_orca_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, and read_orca_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, and read_orca_rundata.


The documentation for this struct was generated from the following file:
Generated on Fri Jan 17 02:58:06 2020 for VMD Plugins (current) by doxygen1.2.14 written by Dimitri van Heesch, © 1997-2002