201 |
|
// electrostaticSummationMethod keyword. |
202 |
|
|
203 |
|
if (simParams_->haveElectrostaticSummationMethod()) { |
204 |
< |
std::string myMethod = simParams_->getElectrostaticSummationMethod(); |
204 |
> |
string myMethod = simParams_->getElectrostaticSummationMethod(); |
205 |
|
toUpper(myMethod); |
206 |
|
|
207 |
|
if (myMethod == "SHIFTED_POTENTIAL") { |
256 |
|
stringToCutoffPolicy["MAX"] = MAX; |
257 |
|
stringToCutoffPolicy["TRADITIONAL"] = TRADITIONAL; |
258 |
|
|
259 |
< |
std::string cutPolicy; |
259 |
> |
string cutPolicy; |
260 |
|
if (forceFieldOptions_.haveCutoffPolicy()){ |
261 |
|
cutPolicy = forceFieldOptions_.getCutoffPolicy(); |
262 |
|
}else if (simParams_->haveCutoffPolicy()) { |