| 1053 |
|
int cp = TRADITIONAL_CUTOFF_POLICY; // Set to traditional by default |
| 1054 |
|
|
| 1055 |
|
// Set LJ shifting bools to false |
| 1056 |
< |
ljsp_ = false; |
| 1057 |
< |
ljsf_ = false; |
| 1056 |
> |
ljsp_ = 0; |
| 1057 |
> |
ljsf_ = 0; |
| 1058 |
|
|
| 1059 |
|
std::string myPolicy; |
| 1060 |
|
if (forceFieldOptions_.haveCutoffPolicy()){ |
| 1125 |
|
toUpper(myMethod); |
| 1126 |
|
|
| 1127 |
|
if (myMethod == "SHIFTED_POTENTIAL") { |
| 1128 |
< |
ljsp_ = true; |
| 1128 |
> |
ljsp_ = 1; |
| 1129 |
|
} else if (myMethod == "SHIFTED_FORCE") { |
| 1130 |
< |
ljsf_ = true; |
| 1130 |
> |
ljsf_ = 1; |
| 1131 |
|
} |
| 1132 |
|
} |
| 1133 |
+ |
|
| 1134 |
|
notifyFortranCutoffs(&rcut_, &rsw_, &ljsp_, &ljsf_); |
| 1135 |
|
|
| 1136 |
|
} else { |
| 1152 |
|
// For the time being, we're tethering the LJ shifted behavior to the |
| 1153 |
|
// electrostaticSummationMethod keyword options |
| 1154 |
|
if (myMethod == "SHIFTED_POTENTIAL") { |
| 1155 |
< |
ljsp_ = true; |
| 1155 |
> |
ljsp_ = 1; |
| 1156 |
|
} else if (myMethod == "SHIFTED_FORCE") { |
| 1157 |
< |
ljsf_ = true; |
| 1157 |
> |
ljsf_ = 1; |
| 1158 |
|
} |
| 1159 |
|
if (myMethod == "SHIFTED_POTENTIAL" || myMethod == "SHIFTED_FORCE") { |
| 1160 |
|
if (simParams_->haveSwitchingRadius()){ |
