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PLMD::molfile::molfile_qm_t Struct Reference

QM related information that is timestep independent. More...

#include <molfile_plugin.h>

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.

Member Data Documentation

molfile_qm_basis_t PLMD::molfile::molfile_qm_t::basis
molfile_qm_hessian_t PLMD::molfile::molfile_qm_t::hess
molfile_qm_sysinfo_t PLMD::molfile::molfile_qm_t::run

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