Commit: e5bbe57fd4db406ba439f673987c6fd8ea97f321 - MolDS (git)

Commit MetaInfo

• Revision: e5bbe57fd4db406ba439f673987c6fd8ea97f321 (tree)
• Time: 2013-07-25 00:57:04
• Author: Mikiya Fujii <mikiya.fujii@gmai...>
• Commiter: Mikiya Fujii

Log Message

Some methods for RPMD in Parameters-class is inlined #27279

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1426 1136aad2-a195-0410-b898-f5ea1d11b9d8

Change Summary

• modified: src/base/Parameters.cpp
• modified: src/base/Parameters.h

Incremental Difference

--- a/src/base/Parameters.cpp
+++ b/src/base/Parameters.cpp
@@ -361,7 +361,7 @@ bool Parameters::RequiresMullikenCIS() const{
            0<this->electronicStateIndecesMullikenCIS->size());
 }
 
-// methods for RPMD
+/*// methods for RPMD
 int Parameters::GetElectronicStateIndexRPMD() const{
    return this->electronicStateIndexRPMD;
 }
@@ -417,7 +417,7 @@ unsigned long Parameters::GetSeedRPMD() const{
 void Parameters::SetSeedRPMD(unsigned long seed){
    this->seedRPMD = seed;
 }
-
+*/
 // methods for NASCO
 int Parameters::GetTotalStepsNASCO() const{
    return this->totalStepsNASCO;

--- a/src/base/Parameters.h
+++ b/src/base/Parameters.h
@@ -165,20 +165,20 @@ public:
    unsigned long GetSeedMC() const                {return this->seedMC;}
    void          SetSeedMC(unsigned long seed)    {this->seedMC = seed;}
    // RPMD
-   int           GetElectronicStateIndexRPMD() const;
-   void          SetElectronicStateIndexRPMD(int electronicStateIndex);
-   int           GetNumberElectronicStatesRPMD() const;
-   void          SetNumberElectronicStatesRPMD(int NumberElectronicStates);
-   int           GetTotalStepsRPMD() const;
-   void          SetTotalStepsRPMD(int totalSteps);
-   double        GetTemperatureRPMD() const;
-   void          SetTemperatureRPMD(double temperature);
-   double        GetTimeWidthRPMD() const;
-   void          SetTimeWidthRPMD(double stepWidth);
-   int           GetNumberBeadsRPMD() const;
-   void          SetNumberBeadsRPMD(int numberBeads);
-   unsigned long GetSeedRPMD() const;
-   void          SetSeedRPMD(unsigned long seed);
+   int           GetElectronicStateIndexRPMD() const  {return this->electronicStateIndexRPMD;}
+   void          SetElectronicStateIndexRPMD(int i)   {this->electronicStateIndexRPMD = i;}
+   int           GetNumberElectronicStatesRPMD() const{return this->numberElectronicStatesRPMD;}
+   void          SetNumberElectronicStatesRPMD(int n) {this->numberElectronicStatesRPMD = n;}
+   int           GetTotalStepsRPMD() const            {return this->totalStepsRPMD;}
+   void          SetTotalStepsRPMD(int steps)         {this->totalStepsRPMD = steps;}
+   double        GetTemperatureRPMD() const           {return this->temperatureRPMD;}
+   void          SetTemperatureRPMD(double t)         {this->temperatureRPMD = t;}
+   double        GetTimeWidthRPMD() const             {return this->timeWidthRPMD;}
+   void          SetTimeWidthRPMD(double dr)          {this->timeWidthRPMD = dr;}
+   int           GetNumberBeadsRPMD() const           {return this->numberBeadsRPMD;}
+   void          SetNumberBeadsRPMD(int b)            {this->numberBeadsRPMD = b;}
+   unsigned long GetSeedRPMD() const                  {return this->seedRPMD;}
+   void          SetSeedRPMD(unsigned long seed)      {this->seedRPMD = seed;}
    // NASCO
    int           GetTotalStepsNASCO() const;
    void          SetTotalStepsNASCO(int totalSteps);