version 1.1 | version 1.2 |
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const int j = pairlisti[k]; | const int j = pairlisti[k]; |
//register const CompAtom *p_j = p_1 + j; | //register const CompAtom *p_j = p_1 + j; |
#define p_j (p_1+j) | #define p_j (p_1+j) |
| #define pFlt_j (pFlt_1+j) |
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#if (VDW_SWITCH_MODE == VDW_SWITCH_MODE_FORCE) || (VDW_SWITCH_MODE == VDW_SWITCH_MODE_MARTINI) | #if (VDW_SWITCH_MODE == VDW_SWITCH_MODE_FORCE) || (VDW_SWITCH_MODE == VDW_SWITCH_MODE_MARTINI) |
#if 0 | #if 0 |
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//const LJTable::TableEntry * lj_pars = | //const LJTable::TableEntry * lj_pars = |
// lj_row + 2 * p_j->vdwType MODIFIED(+ 1); | // lj_row + 2 * p_j->vdwType MODIFIED(+ 1); |
const int lj_index = 2 * p_j->vdwType MODIFIED(+ 1); | const int lj_index = 2 * pFlt_j->vdwType MODIFIED(+ 1); |
#define lj_pars (lj_row+lj_index) | #define lj_pars (lj_row+lj_index) |
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#if ( SHORT( 1+ ) 0 ) | #if ( SHORT( 1+ ) 0 ) |