Searched refs:nQEqcall (Results 1 – 2 of 2) sorted by relevance
| /dports/science/lammps/lammps-stable_29Sep2021/src/SMTBQ/ |
| H A D | pair_smtbq.h | 76 int nmax, *nQEqall, *nQEqaall, *nQEqcall; variable
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| H A D | pair_smtbq.cpp | 126 nQEqcall = nullptr; in PairSMTBQ()
201 memory->destroy(nQEqcall); in ~PairSMTBQ()
2450 memory->destroy(nQEqcall); in Charge()
2455 memory->create(nQEqcall,nteam+1,"pair:nQEqc"); in Charge()
2480 nQEqall[i] = nQEqcall[i] = nQEqaall[i] = end[i]= 0; in Charge()
2500 MPI_Allreduce(nQEqc.data(),nQEqcall,nteam+1,MPI_INT,MPI_SUM,world); in Charge()
2523 if (itype > 0) q[i] = -QOxInit * nQEqaall[gp]/nQEqcall[gp]; in Charge()
2539 if (nQEqcall[gp] !=0 && nQEqaall[gp] !=0 ) in Charge()
2693 if (nQEqcall[i] !=0) in Charge()
2694 { TransfAll[i+cluster] /= static_cast<double>(nQEqcall[i]) ; in Charge()
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