QM related information that is timestep independent. More...
#include <molfile_plugin.h>
Public Attributes | |
molfile_qm_basis_t | basis |
molfile_qm_hessian_t | hess |
molfile_qm_sysinfo_t | run |
QM related information that is timestep independent.
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 |
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