version 1.1060 | version 1.1061 |
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| |
} | } |
| |
params.offset = 0.; | params.offset = 0.; |
| params.offset_f = 0.; |
params.p[0] = p; | params.p[0] = p; |
params.p[1] = p; | params.p[1] = p; |
params.pExt[0] = pExt; | params.pExt[0] = pExt; |
params.pExt[1] = pExt; | params.pExt[1] = pExt; |
| #ifdef NAMD_KNL |
| CompAtomFlt *pFlt = patch->getCompAtomFlt(); |
| params.pFlt[0] = pFlt; |
| params.pFlt[1] = pFlt; |
| #endif |
params.step = patch->flags.step; | params.step = patch->flags.step; |
// BEGIN LA | // BEGIN LA |
params.doLoweAndersen = patch->flags.doLoweAndersen; | params.doLoweAndersen = patch->flags.doLoweAndersen; |