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 26 of file imd.h.

Member Data Documentation

float IMDEnergies::Eangle

Definition at line 34 of file imd.h.

Referenced by Controller::printEnergies().

float IMDEnergies::Ebond

Definition at line 33 of file imd.h.

Referenced by Controller::printEnergies().

float IMDEnergies::Edihe

Definition at line 35 of file imd.h.

Referenced by Controller::printEnergies().

float IMDEnergies::Eelec

Definition at line 32 of file imd.h.

Referenced by Controller::printEnergies().

float IMDEnergies::Eimpr

Definition at line 36 of file imd.h.

Referenced by Controller::printEnergies().

float IMDEnergies::Epot

Definition at line 30 of file imd.h.

Referenced by Controller::printEnergies().

float IMDEnergies::Etot

Definition at line 29 of file imd.h.

Referenced by Controller::printEnergies().

float IMDEnergies::Evdw

Definition at line 31 of file imd.h.

Referenced by Controller::printEnergies().

float IMDEnergies::T

Definition at line 28 of file imd.h.

Referenced by Controller::printEnergies().

int32 IMDEnergies::tstep

Definition at line 27 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