NAMD
Public Attributes | List of all members
GBISParamStruct Struct Reference

#include <ComputeNonbondedUtil.h>

Public Attributes

int cid
 
int patchID [2]
 
int sequence
 
int doSmoothing
 
int doGBIS
 
int numPatches
 
int gbisPhase
 
RealintRad [2]
 
GBRealpsiSum [2]
 
RealbornRad [2]
 
GBRealdEdaSum [2]
 
RealdHdrPrefix [2]
 
BigReal epsilon_s
 
BigReal epsilon_p
 
BigReal rho_0
 
BigReal kappa
 
BigReal cutoff
 
BigReal a_cut
 
BigReal fsMax
 
BigReal delta
 
BigReal beta
 
BigReal gamma
 
BigReal alpha_max
 
BigReal gbSelfEnergy
 
BigReal gbInterEnergy
 
int doFullElectrostatics
 
int doEnergy
 
PairlistsgbisStepPairlists [4]
 
BigReal maxGroupRadius
 

Detailed Description

Definition at line 158 of file ComputeNonbondedUtil.h.

Member Data Documentation

BigReal GBISParamStruct::a_cut
BigReal GBISParamStruct::alpha_max
BigReal GBISParamStruct::beta
Real* GBISParamStruct::bornRad[2]
int GBISParamStruct::cid
BigReal GBISParamStruct::cutoff
GBReal* GBISParamStruct::dEdaSum[2]
BigReal GBISParamStruct::delta
Real* GBISParamStruct::dHdrPrefix[2]
int GBISParamStruct::doEnergy
int GBISParamStruct::doFullElectrostatics
int GBISParamStruct::doGBIS
int GBISParamStruct::doSmoothing
BigReal GBISParamStruct::epsilon_p
BigReal GBISParamStruct::epsilon_s
BigReal GBISParamStruct::fsMax
BigReal GBISParamStruct::gamma
BigReal GBISParamStruct::gbInterEnergy
int GBISParamStruct::gbisPhase
Pairlists* GBISParamStruct::gbisStepPairlists[4]
BigReal GBISParamStruct::gbSelfEnergy
Real* GBISParamStruct::intRad[2]
BigReal GBISParamStruct::kappa
BigReal GBISParamStruct::maxGroupRadius
int GBISParamStruct::numPatches
int GBISParamStruct::patchID[2]
GBReal* GBISParamStruct::psiSum[2]
BigReal GBISParamStruct::rho_0
int GBISParamStruct::sequence

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