OpenAtom  Version1.5a
EnergyStruct Struct Reference

Public Attributes

int iteration_gsp
 
double enl
 
double eext
 
double eke
 
double ehart
 
double egga
 
double eexc
 
double fictEke
 
double fmagPsi
 
double eewald_recip
 
double totalElecEnergy
 
int iteration_atm
 
double eewald_real
 
double eKinetic_atm
 
double eKineticNhc_atm
 
double potNhc_atm
 
double fmag_atm
 
double potPIMDChain
 

Detailed Description

Definition at line 20 of file energy.h.


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