From 4be1b41aef1c8a0c81e6e1f8538cba8b1f2ec48e Mon Sep 17 00:00:00 2001 From: Eddy BARRAUD Date: Mon, 17 Jun 2024 10:03:06 +0200 Subject: [PATCH] class n func rename --- lib/gpu/lal_dpd_coul_slater_long.cpp | 26 +++++++-------- lib/gpu/lal_dpd_coul_slater_long.cu | 8 ++--- lib/gpu/lal_dpd_coul_slater_long.h | 6 ++-- lib/gpu/lal_dpd_coul_slater_long_ext.cpp | 16 ++++----- src/DPD-BASIC/pair_dpd_coul_slater_long.cpp | 32 +++++++++--------- src/DPD-BASIC/pair_dpd_coul_slater_long.h | 12 +++---- src/GPU/pair_dpd_coul_slater_long_gpu.cpp | 36 ++++++++++----------- src/GPU/pair_dpd_coul_slater_long_gpu.h | 12 +++---- 8 files changed, 74 insertions(+), 74 deletions(-) diff --git a/lib/gpu/lal_dpd_coul_slater_long.cpp b/lib/gpu/lal_dpd_coul_slater_long.cpp index a5aae33021..cef2c594a1 100644 --- a/lib/gpu/lal_dpd_coul_slater_long.cpp +++ b/lib/gpu/lal_dpd_coul_slater_long.cpp @@ -24,26 +24,26 @@ const char *dpd_coul_slater_long=0; #include "lal_dpd_coul_slater_long.h" #include namespace LAMMPS_AL { -#define DPDChargedT DPDCharged +#define DPDCoulSlaterLongT DPDCoulSlaterLong extern Device device; template -DPDChargedT::DPDCharged() : BaseDPD(), _allocated(false) { +DPDCoulSlaterLongT::DPDCoulSlaterLong() : BaseDPD(), _allocated(false) { } template -DPDChargedT::~DPDCharged() { +DPDCoulSlaterLongT::~DPDCoulSlaterLong() { clear(); } template -int DPDChargedT::bytes_per_atom(const int max_nbors) const { +int DPDCoulSlaterLongT::bytes_per_atom(const int max_nbors) const { return this->bytes_per_atom_atomic(max_nbors); } template -int DPDChargedT::init(const int ntypes, +int DPDCoulSlaterLongT::init(const int ntypes, double **host_cutsq, double **host_a0, double **host_gamma, double **host_sigma, double **host_cut_dpd, double **host_cut_dpdsq, @@ -75,7 +75,7 @@ int DPDChargedT::init(const int ntypes, int success; bool need_charges = true; success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size, - gpu_split,_screen,dpd_coul_slater_long,"k_dpd_charged",onetype, extra_fields, need_charges); + gpu_split,_screen,dpd_coul_slater_long,"k_dpd_coul_slater_long",onetype, extra_fields, need_charges); if (success!=0) return success; @@ -140,7 +140,7 @@ int DPDChargedT::init(const int ntypes, } template -void DPDChargedT::clear() { +void DPDCoulSlaterLongT::clear() { if (!_allocated) return; _allocated=false; @@ -153,15 +153,15 @@ void DPDChargedT::clear() { } template -double DPDChargedT::host_memory_usage() const { - return this->host_memory_usage_atomic()+sizeof(DPDCharged); +double DPDCoulSlaterLongT::host_memory_usage() const { + return this->host_memory_usage_atomic()+sizeof(DPDCoulSlaterLong); } // --------------------------------------------------------------------------- // Calculate energies, forces, and torques // --------------------------------------------------------------------------- template -int DPDChargedT::loop(const int eflag, const int vflag) { +int DPDCoulSlaterLongT::loop(const int eflag, const int vflag) { int nall = this->atom->nall(); // signal that we need to transfer extra data from the host @@ -215,7 +215,7 @@ int DPDChargedT::loop(const int eflag, const int vflag) { } template -void DPDChargedT::update_coeff(int ntypes, double **host_a0, double **host_gamma, +void DPDCoulSlaterLongT::update_coeff(int ntypes, double **host_a0, double **host_gamma, double **host_sigma, double **host_cut_dpd) { UCL_H_Vec host_write(_lj_types*_lj_types*32,*(this->ucl_device), @@ -229,11 +229,11 @@ void DPDChargedT::update_coeff(int ntypes, double **host_a0, double **host_gamma // --------------------------------------------------------------------------- template -void DPDChargedT::get_extra_data(double *host_q) { +void DPDCoulSlaterLongT::get_extra_data(double *host_q) { q = host_q; } -template class DPDCharged; +template class DPDCoulSlaterLong; } diff --git a/lib/gpu/lal_dpd_coul_slater_long.cu b/lib/gpu/lal_dpd_coul_slater_long.cu index ef5e648571..2c8f020c8d 100644 --- a/lib/gpu/lal_dpd_coul_slater_long.cu +++ b/lib/gpu/lal_dpd_coul_slater_long.cu @@ -10,8 +10,8 @@ // This file is part of the LAMMPS Accelerator Library (LAMMPS_AL) // __________________________________________________________________________ // -// begin : Jan 15, 2014 -// email : nguyentd@ornl.gov +// begin : May 28, 2024 +// email : eddy.barraud@outlook.fr // *************************************************************************** #if defined(NV_KERNEL) || defined(USE_HIP) @@ -162,7 +162,7 @@ _texture_2d( vel_tex,int4); } #endif -__kernel void k_dpd_charged(const __global numtyp4 *restrict x_, +__kernel void k_dpd_coul_slater_long(const __global numtyp4 *restrict x_, const __global numtyp4 *restrict extra, const __global numtyp4 *restrict coeff, const int lj_types, @@ -336,7 +336,7 @@ __kernel void k_dpd_charged(const __global numtyp4 *restrict x_, ans,engv); } -__kernel void k_dpd_charged_fast(const __global numtyp4 *restrict x_, +__kernel void k_dpd_coul_slater_long_fast(const __global numtyp4 *restrict x_, const __global numtyp4 *restrict extra, const __global numtyp4 *restrict coeff_in, const __global numtyp *restrict sp_lj_in, diff --git a/lib/gpu/lal_dpd_coul_slater_long.h b/lib/gpu/lal_dpd_coul_slater_long.h index 2189c176a7..e8e413b26a 100644 --- a/lib/gpu/lal_dpd_coul_slater_long.h +++ b/lib/gpu/lal_dpd_coul_slater_long.h @@ -21,10 +21,10 @@ namespace LAMMPS_AL { template -class DPDCharged : public BaseDPD { +class DPDCoulSlaterLong : public BaseDPD { public: - DPDCharged(); - ~DPDCharged(); + DPDCoulSlaterLong(); + ~DPDCoulSlaterLong(); /// Clear any previous data and set up for a new LAMMPS run /** \param max_nbors initial number of rows in the neighbor matrix diff --git a/lib/gpu/lal_dpd_coul_slater_long_ext.cpp b/lib/gpu/lal_dpd_coul_slater_long_ext.cpp index f575b8455f..35350aca6d 100644 --- a/lib/gpu/lal_dpd_coul_slater_long_ext.cpp +++ b/lib/gpu/lal_dpd_coul_slater_long_ext.cpp @@ -22,12 +22,12 @@ using namespace std; using namespace LAMMPS_AL; -static DPDCharged DPDCMF; +static DPDCoulSlaterLong DPDCMF; // --------------------------------------------------------------------------- // Allocate memory on host and device and copy constants to device // --------------------------------------------------------------------------- -int dpd_charged_gpu_init(const int ntypes, double **host_cutsq, double **host_a0, double **host_gamma, +int dpd_coul_slater_long_gpu_init(const int ntypes, double **host_cutsq, double **host_a0, double **host_gamma, double **host_sigma, double **host_cut_dpd, double **host_cut_dpdsq, double **host_cut_slatersq, double **host_scale, double *special_lj, const int inum, const int nall, const int max_nbors, const int maxspecial, const double cell_size, @@ -93,11 +93,11 @@ int dpd_charged_gpu_init(const int ntypes, double **host_cutsq, double **host_a0 return init_ok; } -void dpd_charged_gpu_clear() { +void dpd_coul_slater_long_gpu_clear() { DPDCMF.clear(); } -int ** dpd_charged_gpu_compute_n(const int ago, const int inum_full, const int nall, +int ** dpd_coul_slater_long_gpu_compute_n(const int ago, const int inum_full, const int nall, double **host_x, int *host_type, double *sublo, double *subhi, tagint *tag, int **nspecial, tagint **special, const bool eflag, const bool vflag, @@ -112,7 +112,7 @@ int ** dpd_charged_gpu_compute_n(const int ago, const int inum_full, const int n host_v, dtinvsqrt, seed, timestep, boxlo, prd); } -void dpd_charged_gpu_compute(const int ago, const int inum_full, const int nall, +void dpd_coul_slater_long_gpu_compute(const int ago, const int inum_full, const int nall, double **host_x, int *host_type, int *ilist, int *numj, int **firstneigh, const bool eflag, const bool vflag, const bool eatom, const bool vatom, int &host_start, @@ -125,17 +125,17 @@ void dpd_charged_gpu_compute(const int ago, const int inum_full, const int nall, tag, host_v, dtinvsqrt, seed, timestep, nlocal, boxlo, prd); } -void dpd_charged_gpu_update_coeff(int ntypes, double **host_a0, double **host_gamma, +void dpd_coul_slater_long_gpu_update_coeff(int ntypes, double **host_a0, double **host_gamma, double **host_sigma, double **host_cut_dpd) { DPDCMF.update_coeff(ntypes,host_a0,host_gamma,host_sigma, host_cut_dpd); } -void dpd_charged_gpu_get_extra_data(double *host_q) { +void dpd_coul_slater_long_gpu_get_extra_data(double *host_q) { DPDCMF.get_extra_data(host_q); } -double dpd_charged_gpu_bytes() { +double dpd_coul_slater_long_gpu_bytes() { return DPDCMF.host_memory_usage(); } diff --git a/src/DPD-BASIC/pair_dpd_coul_slater_long.cpp b/src/DPD-BASIC/pair_dpd_coul_slater_long.cpp index 46c5230f43..7e4d267045 100644 --- a/src/DPD-BASIC/pair_dpd_coul_slater_long.cpp +++ b/src/DPD-BASIC/pair_dpd_coul_slater_long.cpp @@ -41,7 +41,7 @@ static constexpr double EPSILON = 1.0e-10; /* ---------------------------------------------------------------------- */ -PairDPDCharged::PairDPDCharged(LAMMPS *lmp) : Pair(lmp) +PairDPDCoulSlaterLong::PairDPDCoulSlaterLong(LAMMPS *lmp) : Pair(lmp) { writedata = 1; ewaldflag = pppmflag = 1; @@ -51,7 +51,7 @@ PairDPDCharged::PairDPDCharged(LAMMPS *lmp) : Pair(lmp) /* ---------------------------------------------------------------------- */ -PairDPDCharged::~PairDPDCharged() +PairDPDCoulSlaterLong::~PairDPDCoulSlaterLong() { if (copymode) return; @@ -75,7 +75,7 @@ PairDPDCharged::~PairDPDCharged() /* ---------------------------------------------------------------------- */ -void PairDPDCharged::compute(int eflag, int vflag) +void PairDPDCoulSlaterLong::compute(int eflag, int vflag) { int i,j,ii,jj,inum,jnum,itype,jtype; double qtmp,xtmp,ytmp,ztmp,delx,dely,delz,evdwl,ecoul,fpair; @@ -215,7 +215,7 @@ void PairDPDCharged::compute(int eflag, int vflag) allocate all arrays ------------------------------------------------------------------------- */ -void PairDPDCharged::allocate() +void PairDPDCoulSlaterLong::allocate() { int i,j; allocated = 1; @@ -246,7 +246,7 @@ void PairDPDCharged::allocate() global settings ------------------------------------------------------------------------- */ -void PairDPDCharged::settings(int narg, char **arg) +void PairDPDCoulSlaterLong::settings(int narg, char **arg) { // params : T cut_dpd seed lambda cut_coul if (narg != 5) error->all(FLERR,"Illegal pair_style command"); @@ -276,7 +276,7 @@ void PairDPDCharged::settings(int narg, char **arg) set coeffs for one or more type pairs ------------------------------------------------------------------------- */ -void PairDPDCharged::coeff(int narg, char **arg) +void PairDPDCoulSlaterLong::coeff(int narg, char **arg) { if (narg < 4 || narg > 6) error->all(FLERR,"Incorrect args for pair coefficients"); @@ -320,7 +320,7 @@ void PairDPDCharged::coeff(int narg, char **arg) init specific to this pair style ------------------------------------------------------------------------- */ -void PairDPDCharged::init_style() +void PairDPDCoulSlaterLong::init_style() { if (comm->ghost_velocity == 0) error->all(FLERR,"Pair dpd requires ghost atoms store velocity"); @@ -353,7 +353,7 @@ void PairDPDCharged::init_style() return the DPD cutoff for uncharged ------------------------------------------------------------------------- */ -double PairDPDCharged::init_one(int i, int j) +double PairDPDCoulSlaterLong::init_one(int i, int j) { if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set"); @@ -380,7 +380,7 @@ double PairDPDCharged::init_one(int i, int j) proc 0 writes to restart file ------------------------------------------------------------------------- */ -void PairDPDCharged::write_restart(FILE *fp) +void PairDPDCoulSlaterLong::write_restart(FILE *fp) { write_restart_settings(fp); @@ -405,7 +405,7 @@ void PairDPDCharged::write_restart(FILE *fp) proc 0 reads from restart file, bcasts ------------------------------------------------------------------------- */ -void PairDPDCharged::read_restart(FILE *fp) +void PairDPDCoulSlaterLong::read_restart(FILE *fp) { read_restart_settings(fp); @@ -440,7 +440,7 @@ void PairDPDCharged::read_restart(FILE *fp) proc 0 writes to restart file ------------------------------------------------------------------------- */ -void PairDPDCharged::write_restart_settings(FILE *fp) +void PairDPDCoulSlaterLong::write_restart_settings(FILE *fp) { fwrite(&temperature,sizeof(double),1,fp); fwrite(&cut_global,sizeof(double),1,fp); @@ -459,7 +459,7 @@ void PairDPDCharged::write_restart_settings(FILE *fp) proc 0 reads from restart file, bcasts ------------------------------------------------------------------------- */ -void PairDPDCharged::read_restart_settings(FILE *fp) +void PairDPDCoulSlaterLong::read_restart_settings(FILE *fp) { if (comm->me == 0) { utils::sfread(FLERR,&temperature,sizeof(double),1,fp,nullptr,error); @@ -493,7 +493,7 @@ void PairDPDCharged::read_restart_settings(FILE *fp) proc 0 writes to data file ------------------------------------------------------------------------- */ -void PairDPDCharged::write_data(FILE *fp) +void PairDPDCoulSlaterLong::write_data(FILE *fp) { for (int i = 1; i <= atom->ntypes; i++) fprintf(fp,"%d %g %g\n",i,a0[i][i],gamma[i][i]); @@ -503,7 +503,7 @@ void PairDPDCharged::write_data(FILE *fp) proc 0 writes all pairs to data file ------------------------------------------------------------------------- */ -void PairDPDCharged::write_data_all(FILE *fp) +void PairDPDCoulSlaterLong::write_data_all(FILE *fp) { for (int i = 1; i <= atom->ntypes; i++) for (int j = i; j <= atom->ntypes; j++) @@ -512,7 +512,7 @@ void PairDPDCharged::write_data_all(FILE *fp) /* ---------------------------------------------------------------------- */ -double PairDPDCharged::single(int i, int j, int itype, int jtype, double rsq, +double PairDPDCoulSlaterLong::single(int i, int j, int itype, int jtype, double rsq, double factor_coul, double factor_dpd, double &fforce) { double r,rinv,wd,phi; @@ -555,7 +555,7 @@ double PairDPDCharged::single(int i, int j, int itype, int jtype, double rsq, return energy; } -void *PairDPDCharged::extract(const char *str, int &dim) +void *PairDPDCoulSlaterLong::extract(const char *str, int &dim) { if (strcmp(str,"cut_coul") == 0) { dim = 0; diff --git a/src/DPD-BASIC/pair_dpd_coul_slater_long.h b/src/DPD-BASIC/pair_dpd_coul_slater_long.h index c0a1a192d3..36558ccf24 100644 --- a/src/DPD-BASIC/pair_dpd_coul_slater_long.h +++ b/src/DPD-BASIC/pair_dpd_coul_slater_long.h @@ -13,21 +13,21 @@ #ifdef PAIR_CLASS // clang-format off -PairStyle(dpd/coul/slater/long,PairDPDCharged); +PairStyle(dpd/coul/slater/long,PairDPDCoulSlaterLong); // clang-format on #else -#ifndef LMP_PAIR_DPD_CHARGED_H -#define LMP_PAIR_DPD_CHARGED_H +#ifndef LMP_PAIR_DPD_COUL_SLATER_LONG_H +#define LMP_PAIR_DPD_COUL_SLATER_LONG_H #include "pair.h" namespace LAMMPS_NS { -class PairDPDCharged : public Pair { +class PairDPDCoulSlaterLong : public Pair { public: - PairDPDCharged(class LAMMPS *); - ~PairDPDCharged() override; + PairDPDCoulSlaterLong(class LAMMPS *); + ~PairDPDCoulSlaterLong() override; void compute(int, int) override; void settings(int, char **) override; void coeff(int, char **) override; diff --git a/src/GPU/pair_dpd_coul_slater_long_gpu.cpp b/src/GPU/pair_dpd_coul_slater_long_gpu.cpp index 2cfaa7b737..8591a894b3 100644 --- a/src/GPU/pair_dpd_coul_slater_long_gpu.cpp +++ b/src/GPU/pair_dpd_coul_slater_long_gpu.cpp @@ -39,30 +39,30 @@ using namespace EwaldConst; // External functions from cuda library for atom decomposition -int dpd_charged_gpu_init(const int ntypes, double **cutsq, double **host_a0, double **host_gamma, +int dpd_coul_slater_long_gpu_init(const int ntypes, double **cutsq, double **host_a0, double **host_gamma, double **host_sigma, double **host_cut_dpd, double **host_cut_dpdsq, double **host_cut_slatersq, double **host_scale, double *special_lj, const int inum, const int nall, const int max_nbors, const int maxspecial, const double cell_size, int &gpu_mode, FILE *screen, double *host_special_coul, const double qqrd2e, const double g_ewald, const double lamda); -void dpd_charged_gpu_clear(); -int **dpd_charged_gpu_compute_n(const int ago, const int inum_full, const int nall, double **host_x, +void dpd_coul_slater_long_gpu_clear(); +int **dpd_coul_slater_long_gpu_compute_n(const int ago, const int inum_full, const int nall, double **host_x, int *host_type, double *sublo, double *subhi, tagint *tag, int **nspecial, tagint **special, const bool eflag, const bool vflag, const bool eatom, const bool vatom, int &host_start, int **ilist, int **jnum, const double cpu_time, bool &success, double **host_v, const double dtinvsqrt, const int seed, const int timestep, double *boxlo, double *prd); -void dpd_charged_gpu_compute(const int ago, const int inum_full, const int nall, double **host_x, +void dpd_coul_slater_long_gpu_compute(const int ago, const int inum_full, const int nall, double **host_x, int *host_type, int *ilist, int *numj, int **firstneigh, const bool eflag, const bool vflag, const bool eatom, const bool vatom, int &host_start, const double cpu_time, bool &success, tagint *tag, double **host_v, const double dtinvsqrt, const int seed, const int timestep, const int nlocal, double *boxlo, double *prd); -void dpd_charged_gpu_get_extra_data(double *host_q); +void dpd_coul_slater_long_gpu_get_extra_data(double *host_q); -double dpd_charged_gpu_bytes(); +double dpd_coul_slater_long_gpu_bytes(); static constexpr double EPSILON = 1.0e-10; @@ -207,7 +207,7 @@ static constexpr double EPSILON = 1.0e-10; /* ---------------------------------------------------------------------- */ -PairDPDChargedGPU::PairDPDChargedGPU(LAMMPS *lmp) : PairDPDCharged(lmp), gpu_mode(GPU_FORCE) +PairDPDCoulSlaterLongGPU::PairDPDCoulSlaterLongGPU(LAMMPS *lmp) : PairDPDCoulSlaterLong(lmp), gpu_mode(GPU_FORCE) { respa_enable = 0; reinitflag = 0; @@ -220,14 +220,14 @@ PairDPDChargedGPU::PairDPDChargedGPU(LAMMPS *lmp) : PairDPDCharged(lmp), gpu_mod free all arrays ------------------------------------------------------------------------- */ -PairDPDChargedGPU::~PairDPDChargedGPU() +PairDPDCoulSlaterLongGPU::~PairDPDCoulSlaterLongGPU() { - dpd_charged_gpu_clear(); + dpd_coul_slater_long_gpu_clear(); } /* ---------------------------------------------------------------------- */ -void PairDPDChargedGPU::compute(int eflag, int vflag) +void PairDPDCoulSlaterLongGPU::compute(int eflag, int vflag) { ev_init(eflag, vflag); @@ -240,7 +240,7 @@ void PairDPDChargedGPU::compute(int eflag, int vflag) int *ilist, *numneigh, **firstneigh; double *q = atom->q; - dpd_charged_gpu_get_extra_data(q); + dpd_coul_slater_long_gpu_get_extra_data(q); if (gpu_mode != GPU_FORCE) { double sublo[3], subhi[3]; @@ -255,7 +255,7 @@ void PairDPDChargedGPU::compute(int eflag, int vflag) domain->bbox(domain->sublo_lamda, domain->subhi_lamda, sublo, subhi); } inum = atom->nlocal; - firstneigh = dpd_charged_gpu_compute_n( + firstneigh = dpd_coul_slater_long_gpu_compute_n( neighbor->ago, inum, nall, atom->x, atom->type, sublo, subhi, atom->tag, atom->nspecial, atom->special, eflag, vflag, eflag_atom, vflag_atom, host_start, &ilist, &numneigh, cpu_time, success, atom->v, dtinvsqrt, seed, update->ntimestep, domain->boxlo, domain->prd); @@ -264,7 +264,7 @@ void PairDPDChargedGPU::compute(int eflag, int vflag) ilist = list->ilist; numneigh = list->numneigh; firstneigh = list->firstneigh; - dpd_charged_gpu_compute(neighbor->ago, inum, nall, atom->x, atom->type, ilist, numneigh, firstneigh, + dpd_coul_slater_long_gpu_compute(neighbor->ago, inum, nall, atom->x, atom->type, ilist, numneigh, firstneigh, eflag, vflag, eflag_atom, vflag_atom, host_start, cpu_time, success, atom->tag, atom->v, dtinvsqrt, seed, update->ntimestep, atom->nlocal, domain->boxlo, domain->prd); @@ -284,7 +284,7 @@ void PairDPDChargedGPU::compute(int eflag, int vflag) init specific to this pair style ------------------------------------------------------------------------- */ -void PairDPDChargedGPU::init_style() +void PairDPDCoulSlaterLongGPU::init_style() { if (comm->ghost_velocity == 0) @@ -315,7 +315,7 @@ void PairDPDChargedGPU::init_style() if (atom->molecular != Atom::ATOMIC) maxspecial = atom->maxspecial; int mnf = 5e-2 * neighbor->oneatom; int success = - dpd_charged_gpu_init(atom->ntypes + 1, cutsq, a0, gamma, sigma, + dpd_coul_slater_long_gpu_init(atom->ntypes + 1, cutsq, a0, gamma, sigma, cut_dpd, cut_dpdsq, cut_slatersq, scale, force->special_lj, atom->nlocal, atom->nlocal + atom->nghost, mnf, maxspecial, cell_size, gpu_mode, screen, @@ -328,15 +328,15 @@ void PairDPDChargedGPU::init_style() /* ---------------------------------------------------------------------- */ -double PairDPDChargedGPU::memory_usage() +double PairDPDCoulSlaterLongGPU::memory_usage() { double bytes = Pair::memory_usage(); - return bytes + dpd_charged_gpu_bytes(); + return bytes + dpd_coul_slater_long_gpu_bytes(); } /* ---------------------------------------------------------------------- */ -void PairDPDChargedGPU::cpu_compute(int start, int inum, int eflag, int /* vflag */, int *ilist, +void PairDPDCoulSlaterLongGPU::cpu_compute(int start, int inum, int eflag, int /* vflag */, int *ilist, int *numneigh, int **firstneigh) { int i, j, ii, jj, jnum, itype, jtype; diff --git a/src/GPU/pair_dpd_coul_slater_long_gpu.h b/src/GPU/pair_dpd_coul_slater_long_gpu.h index cf3ece009a..5903391d4d 100644 --- a/src/GPU/pair_dpd_coul_slater_long_gpu.h +++ b/src/GPU/pair_dpd_coul_slater_long_gpu.h @@ -13,21 +13,21 @@ #ifdef PAIR_CLASS // clang-format off -PairStyle(dpd/coul/slater/long/gpu,PairDPDChargedGPU); +PairStyle(dpd/coul/slater/long/gpu,PairDPDCoulSlaterLongGPU); // clang-format on #else -#ifndef LMP_PAIR_DPD_CHARGED_GPU_H -#define LMP_PAIR_DPD_CHARGED_GPU_H +#ifndef LMP_PAIR_DPD_COUL_SLATER_LONG_GPU_H +#define LMP_PAIR_DPD_COUL_SLATER_LONG_GPU_H #include "pair_dpd_coul_slater_long.h" namespace LAMMPS_NS { -class PairDPDChargedGPU : public PairDPDCharged { +class PairDPDCoulSlaterLongGPU : public PairDPDCoulSlaterLong { public: - PairDPDChargedGPU(LAMMPS *lmp); - ~PairDPDChargedGPU() override; + PairDPDCoulSlaterLongGPU(LAMMPS *lmp); + ~PairDPDCoulSlaterLongGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); void compute(int, int) override; void init_style() override;