/dports/science/lammps/lammps-stable_29Sep2021/src/EFF/ |
H A D | fix_temp_rescale_eff.cpp | 61 id_temp = utils::strdup(std::string(id) + "_temp"); in FixTempRescaleEff() 63 id_temp,group->names[igroup])); in FixTempRescaleEff() 75 if (tflag) modify->delete_compute(id_temp); in ~FixTempRescaleEff() 76 delete [] id_temp; in ~FixTempRescaleEff() 92 int icompute = modify->find_compute(id_temp); in init() 165 modify->delete_compute(id_temp); in modify_param() 168 delete [] id_temp; in modify_param() 169 id_temp = utils::strdup(arg[1]); in modify_param() 171 int icompute = modify->find_compute(id_temp); in modify_param()
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H A D | fix_nph_eff.cpp | 38 id_temp = utils::strdup(std::string(id) + "_temp"); in FixNPHEff() 39 modify->add_compute(fmt::format("{} all temp/eff",id_temp)); in FixNPHEff() 47 modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp)); in FixNPHEff()
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H A D | fix_npt_eff.cpp | 38 id_temp = utils::strdup(std::string(id) + "_temp"); in FixNPTEff() 39 modify->add_compute(fmt::format("{} all temp/eff",id_temp)); in FixNPTEff() 47 modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp)); in FixNPTEff()
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/dports/science/lammps/lammps-stable_29Sep2021/src/ |
H A D | fix_temp_berendsen.cpp | 41 tstr(nullptr), id_temp(nullptr), tflag(0) in FixTempBerendsen() 76 id_temp = utils::strdup(std::string(id) + "_temp"); in FixTempBerendsen() 77 modify->add_compute(fmt::format("{} {} temp",id_temp,group->names[igroup])); in FixTempBerendsen() 91 if (tflag) modify->delete_compute(id_temp); in ~FixTempBerendsen() 92 delete [] id_temp; in ~FixTempBerendsen() 118 int icompute = modify->find_compute(id_temp); in init() 203 modify->delete_compute(id_temp); in modify_param() 206 delete [] id_temp; in modify_param() 207 id_temp = utils::strdup(arg[1]); in modify_param() 209 int icompute = modify->find_compute(id_temp); in modify_param()
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H A D | fix_temp_rescale.cpp | 41 tstr(nullptr), id_temp(nullptr), tflag(0) in FixTempRescale() 72 id_temp = utils::strdup(std::string(id) + "_temp"); in FixTempRescale() 73 modify->add_compute(fmt::format("{} {} temp",id_temp,group->names[igroup])); in FixTempRescale() 87 if (tflag) modify->delete_compute(id_temp); in ~FixTempRescale() 88 delete [] id_temp; in ~FixTempRescale() 114 int icompute = modify->find_compute(id_temp); in init() 200 modify->delete_compute(id_temp); in modify_param() 203 delete [] id_temp; in modify_param() 204 id_temp = utils::strdup(arg[1]); in modify_param() 206 int icompute = modify->find_compute(id_temp); in modify_param()
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H A D | compute_pressure.cpp | 40 vptr(nullptr), id_temp(nullptr), pstyle(nullptr) in ComputePressure() 55 if (strcmp(arg[3],"NULL") == 0) id_temp = nullptr; in ComputePressure() 57 id_temp = utils::strdup(arg[3]); in ComputePressure() 59 int icompute = modify->find_compute(id_temp); in ComputePressure() 131 if (keflag && id_temp == nullptr) in ComputePressure() 144 delete [] id_temp; in ~ComputePressure() 162 int icompute = modify->find_compute(id_temp); in init() 351 delete [] id_temp; in reset_extra_compute_fix() 352 id_temp = utils::strdup(id_new); in reset_extra_compute_fix()
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H A D | fix_nph.cpp | 38 id_temp = utils::strdup(std::string(id) + "_temp"); in FixNPH() 39 modify->add_compute(fmt::format("{} all temp",id_temp)); in FixNPH() 47 modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp)); in FixNPH()
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H A D | fix_nph_sphere.cpp | 38 id_temp = utils::strdup(std::string(id) + "_temp"); in FixNPHSphere() 39 modify->add_compute(fmt::format("{} all temp/sphere",id_temp)); in FixNPHSphere() 47 modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp)); in FixNPHSphere()
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H A D | fix_npt.cpp | 38 id_temp = utils::strdup(std::string(id) + "_temp"); in FixNPT() 39 modify->add_compute(fmt::format("{} all temp",id_temp)); in FixNPT() 47 modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp)); in FixNPT()
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/dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-FIX/ |
H A D | fix_temp_csld.cpp | 47 vhold(nullptr), tstr(nullptr), id_temp(nullptr), random(nullptr) in FixTempCSLD() 85 id_temp = utils::strdup(std::string(id) + "_temp"); in FixTempCSLD() 86 modify->add_compute(fmt::format("{} {} temp",id_temp,group->names[igroup])); in FixTempCSLD() 102 if (tflag) modify->delete_compute(id_temp); in ~FixTempCSLD() 103 delete [] id_temp; in ~FixTempCSLD() 145 int icompute = modify->find_compute(id_temp); in init() 259 modify->delete_compute(id_temp); in modify_param() 262 delete [] id_temp; in modify_param() 263 id_temp = utils::strdup(arg[1]); in modify_param() 265 int icompute = modify->find_compute(id_temp); in modify_param()
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H A D | fix_temp_csvr.cpp | 48 tstr(nullptr), id_temp(nullptr), random(nullptr) in FixTempCSVR() 86 id_temp = utils::strdup(std::string(id) + "_temp"); in FixTempCSVR() 87 modify->add_compute(fmt::format("{} {} temp",id_temp,group->names[igroup])); in FixTempCSVR() 102 if (tflag) modify->delete_compute(id_temp); in ~FixTempCSVR() 103 delete [] id_temp; in ~FixTempCSVR() 132 int icompute = modify->find_compute(id_temp); in init() 215 modify->delete_compute(id_temp); in modify_param() 218 delete [] id_temp; in modify_param() 219 id_temp = utils::strdup(arg[1]); in modify_param() 221 int icompute = modify->find_compute(id_temp); in modify_param()
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/dports/science/sparta/sparta-20Oct2021/src/ |
H A D | compute_lambda_grid.cpp | 48 id_nrho = id_temp = NULL; in ComputeLambdaGrid() 104 id_temp = new char[n]; in ComputeLambdaGrid() 105 strcpy(id_temp,&arg[3][2]); in ComputeLambdaGrid() 107 char *ptr = strchr(id_temp,'['); in ComputeLambdaGrid() 109 if (id_temp[strlen(id_temp)-1] != ']') in ComputeLambdaGrid() 119 int n = modify->find_compute(id_temp); in ComputeLambdaGrid() 137 int n = modify->find_fix(id_temp); in ComputeLambdaGrid() 192 delete [] id_temp; in ~ComputeLambdaGrid() 221 int icompute = modify->find_compute(id_temp); in init() 226 int ifix = modify->find_fix(id_temp); in init()
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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/ |
H A D | compute_pressure.cpp | 85 id_temp = new char[n]; in ComputePressure() 86 strcpy(id_temp,arg[iarg]); in ComputePressure() 89 int icompute = modify->find_compute(id_temp); in ComputePressure() 135 delete [] id_temp; in ~ComputePressure() 151 int icompute = modify->find_compute(id_temp); in init() 315 delete [] id_temp; in reset_extra_compute_fix() 317 id_temp = new char[n]; in reset_extra_compute_fix() 318 strcpy(id_temp,id_new); in reset_extra_compute_fix()
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/dports/science/lammps/lammps-stable_29Sep2021/src/GPU/ |
H A D | fix_npt_gpu.cpp | 38 id_temp = utils::strdup(std::string(id)+"_temp"); in FixNPTGPU() 39 modify->add_compute(fmt::format("{} all temp",id_temp)); in FixNPTGPU() 47 modify->add_compute(std::string(id_press)+" all pressure "+id_temp); in FixNPTGPU()
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/dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/ |
H A D | fix_npt_sphere_omp.cpp | 38 id_temp = utils::strdup(std::string(id) + "_temp"); in FixNPTSphereOMP() 39 modify->add_compute(fmt::format("{} all temp/sphere",id_temp)); in FixNPTSphereOMP() 47 modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp)); in FixNPTSphereOMP()
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H A D | fix_nph_asphere_omp.cpp | 38 id_temp = utils::strdup(std::string(id) + "_temp"); in FixNPHAsphereOMP() 39 modify->add_compute(fmt::format("{} all temp/asphere",id_temp)); in FixNPHAsphereOMP() 47 modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp)); in FixNPHAsphereOMP()
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H A D | fix_nph_omp.cpp | 38 id_temp = utils::strdup(std::string(id) + "_temp"); in FixNPHOMP() 39 modify->add_compute(fmt::format("{} all temp",id_temp)); in FixNPHOMP() 47 modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp)); in FixNPHOMP()
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H A D | fix_nph_sphere_omp.cpp | 38 id_temp = utils::strdup(std::string(id) + "_temp"); in FixNPHSphereOMP() 39 modify->add_compute(fmt::format("{} all temp/sphere",id_temp)); in FixNPHSphereOMP() 47 modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp)); in FixNPHSphereOMP()
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H A D | fix_npt_asphere_omp.cpp | 38 id_temp = utils::strdup(std::string(id) + "_temp"); in FixNPTAsphereOMP() 39 modify->add_compute(fmt::format("{} all temp/asphere",id_temp)); in FixNPTAsphereOMP() 47 modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp)); in FixNPTAsphereOMP()
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H A D | fix_npt_omp.cpp | 38 id_temp = utils::strdup(std::string(id) + "_temp"); in FixNPTOMP() 39 modify->add_compute(fmt::format("{} all temp",id_temp)); in FixNPTOMP() 47 modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp)); in FixNPTOMP()
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/dports/science/lammps/lammps-stable_29Sep2021/src/DRUDE/ |
H A D | fix_tgnpt_drude.cpp | 38 id_temp = utils::strdup(std::string(id) + "_temp"); in FixTGNPTDrude() 39 modify->add_compute(fmt::format("{} all temp",id_temp)); in FixTGNPTDrude() 47 modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp)); in FixTGNPTDrude()
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/dports/science/lammps/lammps-stable_29Sep2021/src/INTEL/ |
H A D | fix_npt_intel.cpp | 38 id_temp = utils::strdup(std::string(id) + "_temp"); in FixNPTIntel() 39 modify->add_compute(fmt::format("{} all temp",id_temp)); in FixNPTIntel() 47 modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp)); in FixNPTIntel()
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/dports/science/lammps/lammps-stable_29Sep2021/src/BODY/ |
H A D | fix_nph_body.cpp | 42 id_temp = utils::strdup(std::string(id) + "_temp"); in FixNPHBody() 43 modify->add_compute(fmt::format("{} all temp/body",id_temp)); in FixNPHBody() 51 modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp)); in FixNPHBody()
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/dports/science/lammps/lammps-stable_29Sep2021/src/ASPHERE/ |
H A D | fix_nph_asphere.cpp | 39 id_temp = utils::strdup(std::string(id) + "_temp"); in FixNPHAsphere() 40 modify->add_compute(fmt::format("{} all temp/asphere",id_temp)); in FixNPHAsphere() 48 modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp)); in FixNPHAsphere()
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H A D | fix_npt_asphere.cpp | 38 id_temp = utils::strdup(std::string(id) + "_temp"); in FixNPTAsphere() 39 modify->add_compute(fmt::format("{} all temp/asphere",id_temp)); in FixNPTAsphere() 47 modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp)); in FixNPTAsphere()
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