| # | Line 234 | Line 234 | namespace OpenMD { | |
|---|---|---|
| 234 | ||
| 235 | SimInfo* SimCreator::createSim(const std::string & mdFileName, | |
| 236 | bool loadInitCoords) { | |
| 237 | < | |
| 237 | > | |
| 238 | const int bufferSize = 65535; | |
| 239 | char buffer[bufferSize]; | |
| 240 | int lineNo = 0; | |
| # | Line 369 | Line 369 | namespace OpenMD { | |
| 369 | } | |
| 370 | ||
| 371 | ff->parse(forcefieldFileName); | |
| 372 | – | ff->setFortranForceOptions(); |
| 372 | //create SimInfo | |
| 373 | SimInfo * info = new SimInfo(ff, simParams); | |
| 374 | ||
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