| # | Line 216 | Line 216 | class Shapes_FF : public ForceFields{ (public) | |
|---|---|---|
| 216 | Shapes_FF(char* the_variant); | |
| 217 | virtual ~Shapes_FF(); | |
| 218 | ||
| 219 | < | |
| 220 | < | void readParams(); |
| 219 | > | void readForceFile(); |
| 220 | void cleanMe( void ); | |
| 221 | ||
| 222 | void initializeAtoms( int nAtoms, Atom** atomArray ); | |
| # | Line 232 | Line 231 | class Shapes_FF : public ForceFields{ (public) | |
| 231 | ||
| 232 | void calcRcut( void ); | |
| 233 | double getAtomTypeMass(char* atomType); | |
| 235 | – | private: |
| 234 | ||
| 235 | < | void fastForward( char* stopText, char* searchOwner ); |
| 236 | < | |
| 235 | > | private: |
| 236 | > | char* ffPath_env; |
| 237 | double shapesRcut; | |
| 238 | + | |
| 239 | }; | |
| 240 | ||
| 241 | ||
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |