ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/src/io/Globals.cpp
(Generate patch)

Comparing trunk/src/io/Globals.cpp (file contents):
Revision 1291 by gezelter, Thu Sep 11 19:40:59 2008 UTC vs.
Revision 1306 by chuckv, Thu Oct 16 18:25:36 2008 UTC

# Line 103 | Line 103 | Globals::Globals() {
103    DefineOptionalParameter(FrozenBufferRadius, "frozenBufferRadius");
104    DefineOptionalParameter(LangevinBufferRadius, "langevinBufferRadius");
105    DefineOptionalParameter(NeighborListNeighbors,"NeighborListNeighbors");
106 +  DefineOptionalParameter(UseMultipleTemperatureMethod, "useMultipleTemperatureMethod");
107 +  DefineOptionalParameter(MTM_Ce, "MTM_Ce");
108 +  DefineOptionalParameter(MTM_G, "MTM_G");
109 +  DefineOptionalParameter(MTM_Io, "MTM_Io");
110 +  DefineOptionalParameter(MTM_Sigma, "MTM_Sigma");
111 +  DefineOptionalParameter(MTM_R, "MTM_R");
112    
113    
114    DefineOptionalParameterWithDefaultValue(UsePeriodicBoundaryConditions, "usePeriodicBoundaryConditions", true);
# Line 141 | Line 147 | void Globals::validate() {
147  
148    CheckParameter(ForceField, isNotEmpty());
149    CheckParameter(TargetTemp, isPositive());
150 <  CheckParameter(Ensemble, isEqualIgnoreCase("NVE") || isEqualIgnoreCase("NVT") || isEqualIgnoreCase("NPTi") || isEqualIgnoreCase("NPTf") || isEqualIgnoreCase("NPTxyz") || isEqualIgnoreCase("NPAT")  || isEqualIgnoreCase("LANGEVINDYNAMICS") || isEqualIgnoreCase("LD") || isEqualIgnoreCase("NPRT") || isEqualIgnoreCase("NPGT") || isEqualIgnoreCase("NGammaT") || isEqualIgnoreCase("NGT"));
150 >  CheckParameter(Ensemble, isEqualIgnoreCase("NVE") || isEqualIgnoreCase("NVT") || isEqualIgnoreCase("NPTi") || isEqualIgnoreCase("NPTf") || isEqualIgnoreCase("NPTxyz") || isEqualIgnoreCase("NPAT")  || isEqualIgnoreCase("LANGEVINDYNAMICS") || isEqualIgnoreCase("LD") || isEqualIgnoreCase("NPRT") || isEqualIgnoreCase("NPGT") || isEqualIgnoreCase("NGammaT") || isEqualIgnoreCase("NGT") || isEqualIgnoreCase("SMIPD"));
151    CheckParameter(Dt, isPositive());
152    CheckParameter(RunTime, isPositive());
153    CheckParameter(FinalConfig, isNotEmpty());

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines