| /dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-FIX/ |
| H A D | fix_momentum_chunk.cpp | 89 if (!id_com.empty()) modify->delete_compute(id_com); in ~FixMomentumChunk()
90 if (!id_vcm.empty()) modify->delete_compute(id_vcm); in ~FixMomentumChunk()
91 if (!id_omega.empty()) modify->delete_compute(id_omega); in ~FixMomentumChunk()
121 if (icompute >= 0) modify->delete_compute(id_com); in init()
129 if (icompute >= 0) modify->delete_compute(id_vcm); in init()
137 if (icompute >= 0) modify->delete_compute(id_omega); in init()
287 modify->delete_compute(id_com); in post_run()
288 modify->delete_compute(id_vcm); in post_run()
289 modify->delete_compute(id_omega); in post_run()
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| H A D | fix_temp_csld.cpp | 102 if (tflag) modify->delete_compute(id_temp); in ~FixTempCSLD()
259 modify->delete_compute(id_temp); in modify_param()
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| H A D | fix_temp_csvr.cpp | 102 if (tflag) modify->delete_compute(id_temp); in ~FixTempCSVR()
215 modify->delete_compute(id_temp); in modify_param()
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| H A D | fix_numdiff.cpp | 86 modify->delete_compute(id_pe); in ~FixNumDiff()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/REPLICA/ |
| H A D | fix_grem.cpp | 119 modify->delete_compute(id_temp); in ~FixGrem()
120 modify->delete_compute(id_press); in ~FixGrem()
121 modify->delete_compute(id_ke); in ~FixGrem()
122 modify->delete_compute(id_pe); in ~FixGrem()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/PLUMED/ |
| H A D | fix_plumed.cpp | 272 modify->delete_compute(id_pe); in ~FixPlumed()
273 modify->delete_compute(id_press); in ~FixPlumed()
539 modify->delete_compute(id_pe); in modify_param()
556 modify->delete_compute(id_press); in modify_param()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/EFF/ |
| H A D | fix_temp_rescale_eff.cpp | 75 if (tflag) modify->delete_compute(id_temp); in ~FixTempRescaleEff()
165 modify->delete_compute(id_temp); in modify_param()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/ |
| H A D | modify.h | 116 void delete_compute(const std::string &);
117 void delete_compute(int);
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| H A D | fix_press_berendsen.cpp | 247 if (tflag) modify->delete_compute(id_temp); in ~FixPressBerendsen()
248 if (pflag) modify->delete_compute(id_press); in ~FixPressBerendsen()
460 modify->delete_compute(id_temp); in modify_param()
487 modify->delete_compute(id_press); in modify_param()
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| H A D | fix_temp_berendsen.cpp | 91 if (tflag) modify->delete_compute(id_temp); in ~FixTempBerendsen()
203 modify->delete_compute(id_temp); in modify_param()
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| H A D | fix_temp_rescale.cpp | 87 if (tflag) modify->delete_compute(id_temp); in ~FixTempRescale()
200 modify->delete_compute(id_temp); in modify_param()
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| H A D | reset_mol_ids.cpp | 54 if (!idfrag.empty()) modify->delete_compute(idfrag); in ~ResetMolIDs()
55 if (compressflag && !idchunk.empty()) modify->delete_compute(idchunk); in ~ResetMolIDs()
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| H A D | fix_box_relax.cpp | 350 if (tflag) modify->delete_compute(id_temp); in ~FixBoxRelax()
351 if (pflag) modify->delete_compute(id_press); in ~FixBoxRelax()
753 modify->delete_compute(id_temp); in modify_param()
782 modify->delete_compute(id_press); in modify_param()
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| H A D | velocity.cpp | 400 if (tcreate_flag) modify->delete_compute("velocity_temp"); in create()
401 if (temperature_nobias) modify->delete_compute("velocity_temp"); in create()
606 if (tflag) modify->delete_compute("velocity_temp"); in scale()
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| /dports/science/sparta/sparta-20Oct2021/src/ |
| H A D | modify.h | 54 void delete_compute(const char *);
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| /dports/science/lammps/lammps-stable_29Sep2021/src/SHOCK/ |
| H A D | fix_msst.cpp | 224 if (tflag) modify->delete_compute(id_temp); in ~FixMSST()
225 if (pflag) modify->delete_compute(id_press); in ~FixMSST()
226 if (peflag) modify->delete_compute(id_pe); in ~FixMSST()
840 modify->delete_compute(id_temp); in modify_param()
862 modify->delete_compute(id_press); in modify_param()
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| H A D | fix_nphug.cpp | 150 if (peflag) modify->delete_compute(id_pe); in ~FixNPHug()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/MISC/ |
| H A D | fix_ipi.cpp | 233 modify->delete_compute("IPI_TEMP"); in ~FixIPI()
234 modify->delete_compute("IPI_PRESS"); in ~FixIPI()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/QTB/ |
| H A D | fix_qbmsst.cpp | 272 if (tflag) modify->delete_compute(id_temp); in ~FixQBMSST()
273 if (pflag) modify->delete_compute(id_press); in ~FixQBMSST()
274 if (peflag) modify->delete_compute(id_pe); in ~FixQBMSST()
869 modify->delete_compute(id_temp); in modify_param()
889 modify->delete_compute(id_press); in modify_param()
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| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/ |
| H A D | fix_box_relax.cpp | 394 if (tflag) modify->delete_compute(id_temp); in ~FixBoxRelax()
395 if (pflag) modify->delete_compute(id_press); in ~FixBoxRelax()
790 modify->delete_compute(id_temp); in modify_param()
821 modify->delete_compute(id_press); in modify_param()
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| H A D | modify.h | 166 void delete_compute(const char *,bool uncomputeflag = false);
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| /dports/science/lammps/lammps-stable_29Sep2021/src/RIGID/ |
| H A D | fix_rigid_nh.cpp | 177 if (tcomputeflag) modify->delete_compute(id_temp); in ~FixRigidNH()
183 if (pcomputeflag) modify->delete_compute(id_press); in ~FixRigidNH()
1206 modify->delete_compute(id_temp); in modify_param()
1238 modify->delete_compute(id_press); in modify_param()
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| H A D | fix_rigid_nh_small.cpp | 189 if (tcomputeflag) modify->delete_compute(id_temp); in ~FixRigidNHSmall()
195 if (pcomputeflag) modify->delete_compute(id_press); in ~FixRigidNHSmall()
1322 modify->delete_compute(id_temp); in modify_param()
1354 modify->delete_compute(id_press); in modify_param()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/MANIFOLD/ |
| H A D | fix_nvt_manifold_rattle.cpp | 169 modify->delete_compute(id_temp); in ~FixNVTManifoldRattle()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/MDI/ |
| H A D | fix_mdi_engine.cpp | 106 modify->delete_compute(id_pe); in ~FixMDIEngine()
107 modify->delete_compute(id_ke); in ~FixMDIEngine()
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