| /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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