# | Line 123 | Line 123 | LJFF::LJFF(){ | |
---|---|---|
123 | char* ffPath_env = "FORCE_PARAM_PATH"; | |
124 | char* ffPath; | |
125 | char temp[200]; | |
126 | – | char errMsg[1000]; |
126 | ||
127 | headAtomType = NULL; | |
128 | currentAtomType = NULL; | |
# | Line 249 | Line 248 | void LJFF::readParams( void ){ | |
248 | info.last = 1; // initialize last to have the last set. | |
249 | // if things go well, last will be set to 0 | |
250 | ||
252 | – | int i; |
251 | int identNum; | |
252 | ||
253 | ||
# | Line 404 | Line 402 | void LJFF::initializeAtoms( int nAtoms, Atom** the_ato | |
402 | // initialize the atoms | |
403 | ||
404 | ||
407 | – | Atom* thisAtom; |
408 | – | |
405 | for( i=0; i<nAtoms; i++ ){ | |
406 | ||
407 | currentAtomType = headAtomType->find( the_atoms[i]->getType() ); |
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