| 修訂 | e5bbe57fd4db406ba439f673987c6fd8ea97f321 (tree) |
|---|---|
| 時間 | 2013-07-25 00:57:04 |
| 作者 | Mikiya Fujii <mikiya.fujii@gmai...> |
| Commiter | Mikiya Fujii |
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
src/base/Parameters.cpp (diff)
src/base/Parameters.h (diff)| @@ -361,7 +361,7 @@ bool Parameters::RequiresMullikenCIS() const{ | ||
| 361 | 361 | 0<this->electronicStateIndecesMullikenCIS->size()); |
| 362 | 362 | } |
| 363 | 363 | |
| 364 | -// methods for RPMD | |
| 364 | +/*// methods for RPMD | |
| 365 | 365 | int Parameters::GetElectronicStateIndexRPMD() const{ |
| 366 | 366 | return this->electronicStateIndexRPMD; |
| 367 | 367 | } |
| @@ -417,7 +417,7 @@ unsigned long Parameters::GetSeedRPMD() const{ | ||
| 417 | 417 | void Parameters::SetSeedRPMD(unsigned long seed){ |
| 418 | 418 | this->seedRPMD = seed; |
| 419 | 419 | } |
| 420 | - | |
| 420 | +*/ | |
| 421 | 421 | // methods for NASCO |
| 422 | 422 | int Parameters::GetTotalStepsNASCO() const{ |
| 423 | 423 | return this->totalStepsNASCO; |
| @@ -165,20 +165,20 @@ public: | ||
| 165 | 165 | unsigned long GetSeedMC() const {return this->seedMC;} |
| 166 | 166 | void SetSeedMC(unsigned long seed) {this->seedMC = seed;} |
| 167 | 167 | // RPMD |
| 168 | - int GetElectronicStateIndexRPMD() const; | |
| 169 | - void SetElectronicStateIndexRPMD(int electronicStateIndex); | |
| 170 | - int GetNumberElectronicStatesRPMD() const; | |
| 171 | - void SetNumberElectronicStatesRPMD(int NumberElectronicStates); | |
| 172 | - int GetTotalStepsRPMD() const; | |
| 173 | - void SetTotalStepsRPMD(int totalSteps); | |
| 174 | - double GetTemperatureRPMD() const; | |
| 175 | - void SetTemperatureRPMD(double temperature); | |
| 176 | - double GetTimeWidthRPMD() const; | |
| 177 | - void SetTimeWidthRPMD(double stepWidth); | |
| 178 | - int GetNumberBeadsRPMD() const; | |
| 179 | - void SetNumberBeadsRPMD(int numberBeads); | |
| 180 | - unsigned long GetSeedRPMD() const; | |
| 181 | - void SetSeedRPMD(unsigned long seed); | |
| 168 | + int GetElectronicStateIndexRPMD() const {return this->electronicStateIndexRPMD;} | |
| 169 | + void SetElectronicStateIndexRPMD(int i) {this->electronicStateIndexRPMD = i;} | |
| 170 | + int GetNumberElectronicStatesRPMD() const{return this->numberElectronicStatesRPMD;} | |
| 171 | + void SetNumberElectronicStatesRPMD(int n) {this->numberElectronicStatesRPMD = n;} | |
| 172 | + int GetTotalStepsRPMD() const {return this->totalStepsRPMD;} | |
| 173 | + void SetTotalStepsRPMD(int steps) {this->totalStepsRPMD = steps;} | |
| 174 | + double GetTemperatureRPMD() const {return this->temperatureRPMD;} | |
| 175 | + void SetTemperatureRPMD(double t) {this->temperatureRPMD = t;} | |
| 176 | + double GetTimeWidthRPMD() const {return this->timeWidthRPMD;} | |
| 177 | + void SetTimeWidthRPMD(double dr) {this->timeWidthRPMD = dr;} | |
| 178 | + int GetNumberBeadsRPMD() const {return this->numberBeadsRPMD;} | |
| 179 | + void SetNumberBeadsRPMD(int b) {this->numberBeadsRPMD = b;} | |
| 180 | + unsigned long GetSeedRPMD() const {return this->seedRPMD;} | |
| 181 | + void SetSeedRPMD(unsigned long seed) {this->seedRPMD = seed;} | |
| 182 | 182 | // NASCO |
| 183 | 183 | int GetTotalStepsNASCO() const; |
| 184 | 184 | void SetTotalStepsNASCO(int totalSteps); |
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