Searched refs:potself (Results 1 – 2 of 2) sorted by relevance
87 double *ecov, *potmad, *potself, *potcov; //, *chimet; variable
115 potself = nullptr; in PairSMTBQ()193 memory->destroy(potself); in ~PairSMTBQ()791 memory->destroy(potself); in compute()806 memory->create(potself,nmax,"pair:potself"); in compute()1241 memory->create(potself,nmax,"pair:potself"); in tabqeq()2344 potmad[i] = potself[i] = potcov[i] = 0.0 ; in QForce_charge()2361 potself[i] = fqi ; in QForce_charge()2597 qf[i] = potself[i]+potmad[i]+potcov[i]; // +chimet[i]; in Charge()2680 … <<" "<<x[i][2]<<" "<<q[i]<<" "<<potself[i] + potmad[i]<<" "<<potcov[i] in Charge()