diff --git a/src/OPENMP/pair_hbond_dreiding_lj_angleoffset_omp.cpp b/src/OPENMP/pair_hbond_dreiding_lj_angleoffset_omp.cpp index 094beca70a..9d4b06af43 100644 --- a/src/OPENMP/pair_hbond_dreiding_lj_angleoffset_omp.cpp +++ b/src/OPENMP/pair_hbond_dreiding_lj_angleoffset_omp.cpp @@ -37,8 +37,8 @@ static constexpr double SMALL = 0.001; /* ---------------------------------------------------------------------- */ -PairHbondDreidingLJangleoffsetOMP::PairHbondDreidingLJangleoffsetOMP(LAMMPS *lmp) : - PairHbondDreidingLJangleoffset(lmp), ThrOMP(lmp, THR_PAIR) +PairHbondDreidingLJAngleoffsetOMP::PairHbondDreidingLJAngleoffsetOMP(LAMMPS *lmp) : + PairHbondDreidingLJAngleoffset(lmp), ThrOMP(lmp, THR_PAIR) { suffix_flag |= Suffix::OMP; respa_enable = 0; @@ -47,7 +47,7 @@ PairHbondDreidingLJangleoffsetOMP::PairHbondDreidingLJangleoffsetOMP(LAMMPS *lmp /* ---------------------------------------------------------------------- */ -PairHbondDreidingLJangleoffsetOMP::~PairHbondDreidingLJangleoffsetOMP() +PairHbondDreidingLJAngleoffsetOMP::~PairHbondDreidingLJAngleoffsetOMP() { if (hbcount_thr) { delete[] hbcount_thr; @@ -57,7 +57,7 @@ PairHbondDreidingLJangleoffsetOMP::~PairHbondDreidingLJangleoffsetOMP() /* ---------------------------------------------------------------------- */ -void PairHbondDreidingLJangleoffsetOMP::compute(int eflag, int vflag) +void PairHbondDreidingLJAngleoffsetOMP::compute(int eflag, int vflag) { ev_init(eflag,vflag); @@ -115,7 +115,7 @@ void PairHbondDreidingLJangleoffsetOMP::compute(int eflag, int vflag) } template -void PairHbondDreidingLJangleoffsetOMP::eval(int iifrom, int iito, ThrData * const thr) +void PairHbondDreidingLJAngleoffsetOMP::eval(int iifrom, int iito, ThrData * const thr) { int i,j,k,m,ii,jj,kk,jnum,knum,itype,jtype,ktype,iatom,imol; tagint tagprev; @@ -312,11 +312,11 @@ void PairHbondDreidingLJangleoffsetOMP::eval(int iifrom, int iito, ThrData * con /* ---------------------------------------------------------------------- */ -double PairHbondDreidingLJangleoffsetOMP::memory_usage() +double PairHbondDreidingLJAngleoffsetOMP::memory_usage() { double bytes = memory_usage_thr(); bytes += (double)comm->nthreads * 2 * sizeof(double); - bytes += PairHbondDreidingLJangleoffset::memory_usage(); + bytes += PairHbondDreidingLJAngleoffset::memory_usage(); return bytes; } diff --git a/src/OPENMP/pair_hbond_dreiding_lj_angleoffset_omp.h b/src/OPENMP/pair_hbond_dreiding_lj_angleoffset_omp.h index 0a4e14f68d..ef2ff9ee2e 100644 --- a/src/OPENMP/pair_hbond_dreiding_lj_angleoffset_omp.h +++ b/src/OPENMP/pair_hbond_dreiding_lj_angleoffset_omp.h @@ -17,7 +17,7 @@ #ifdef PAIR_CLASS // clang-format off -PairStyle(hbond/dreiding/lj/angleoffset/omp,PairHbondDreidingLJangleoffsetOMP); +PairStyle(hbond/dreiding/lj/angleoffset/omp,PairHbondDreidingLJAngleoffsetOMP); // clang-format on #else @@ -29,11 +29,11 @@ PairStyle(hbond/dreiding/lj/angleoffset/omp,PairHbondDreidingLJangleoffsetOMP); namespace LAMMPS_NS { -class PairHbondDreidingLJangleoffsetOMP : public PairHbondDreidingLJangleoffset, public ThrOMP { +class PairHbondDreidingLJAngleoffsetOMP : public PairHbondDreidingLJAngleoffset, public ThrOMP { public: - PairHbondDreidingLJangleoffsetOMP(class LAMMPS *); - ~PairHbondDreidingLJangleoffsetOMP() override; + PairHbondDreidingLJAngleoffsetOMP(class LAMMPS *); + ~PairHbondDreidingLJAngleoffsetOMP() override; void compute(int, int) override; double memory_usage() override;