| # | Line 96 | Line 96 | SimSetup::~SimSetup(){ | |
|---|---|---|
| 96 | } | |
| 97 | ||
| 98 | SimSetup::~SimSetup(){ | |
| 99 | + | // clean up the forcefield |
| 100 | + | the_ff->cleanMe(); |
| 101 | + | |
| 102 | delete stamps; | |
| 103 | delete globals; | |
| 104 | } | |
| # | Line 114 | Line 117 | void SimSetup::parseFile(char* fileName){ | |
| 117 | #endif // is_mpi | |
| 118 | ||
| 119 | inFileName = fileName; | |
| 120 | + | |
| 121 | + | globals->initalize(); |
| 122 | set_interface_stamps(stamps, globals); | |
| 123 | ||
| 124 | #ifdef IS_MPI | |
| # | Line 1126 | Line 1131 | void SimSetup::finalInfoCheck(void){ | |
| 1131 | MPIcheckPoint(); | |
| 1132 | #endif // is_mpi | |
| 1133 | ||
| 1129 | – | // clean up the forcefield |
| 1130 | – | the_ff->cleanMe(); |
| 1134 | } | |
| 1135 | ||
| 1136 | void SimSetup::initSystemCoords(void){ | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |