IMDEnergies Struct Reference

#include <imd.h>

Public Attributes
int32	tstep
float	T
float	Etot
float	Epot
float	Evdw
float	Eelec
float	Ebond
float	Eangle
float	Edihe
float	Eimpr

Detailed Description

Definition at line 36 of file imd.h.

Member Data Documentation

Eangle

float IMDEnergies::Eangle

Definition at line 44 of file imd.h.

Referenced by Controller::printEnergies().

Ebond

float IMDEnergies::Ebond

Definition at line 43 of file imd.h.

Referenced by Controller::printEnergies().

Edihe

float IMDEnergies::Edihe

Definition at line 45 of file imd.h.

Referenced by Controller::printEnergies().

Eelec

float IMDEnergies::Eelec

Definition at line 42 of file imd.h.

Referenced by Controller::printEnergies().

Eimpr

float IMDEnergies::Eimpr

Definition at line 46 of file imd.h.

Referenced by Controller::printEnergies().

Epot

float IMDEnergies::Epot

Definition at line 40 of file imd.h.

Referenced by Controller::printEnergies().

Etot

float IMDEnergies::Etot

Definition at line 39 of file imd.h.

Referenced by Controller::printEnergies().

Evdw

float IMDEnergies::Evdw

Definition at line 41 of file imd.h.

Referenced by Controller::printEnergies().

T

float IMDEnergies::T

Definition at line 38 of file imd.h.

Referenced by Controller::printEnergies().

tstep

int32 IMDEnergies::tstep

Definition at line 37 of file imd.h.

Referenced by IMDOutput::gather_energies(), and Controller::printEnergies().

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

• imd.h