| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/ |
| H A D | compute_pe.cpp | 79 bondflag = angleflag = dihedralflag = improperflag = 1; in ComputePE()
84 bondflag = angleflag = dihedralflag = improperflag = 0; in ComputePE()
89 else if (strcmp(arg[iarg],"bond") == 0) bondflag = 1; in ComputePE()
113 if (bondflag && force->bond) one += force->bond->energy; in compute_scalar()
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| H A D | compute_pressure.cpp | 101 bondflag = angleflag = dihedralflag = improperflag = 1; in ComputePressure()
106 bondflag = angleflag = dihedralflag = improperflag = 0; in ComputePressure()
111 else if (strcmp(arg[iarg],"bond") == 0) bondflag = 1; in ComputePressure()
119 bondflag = angleflag = dihedralflag = improperflag = 1; in ComputePressure()
164 if (bondflag && atom->molecular && force->bond) nvirial++; in init()
176 if (bondflag && force->bond) vptr[nvirial++] = force->bond->virial; in init()
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| H A D | compute_pe_atom.cpp | 78 bondflag = angleflag = dihedralflag = improperflag = 1; in ComputePEAtom()
82 bondflag = angleflag = dihedralflag = improperflag = 0; in ComputePEAtom()
86 else if (strcmp(arg[iarg],"bond") == 0) bondflag = 1; in ComputePEAtom()
154 if (bondflag && force->bond) { in compute_peratom()
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| H A D | compute_stress_atom.cpp | 89 bondflag = angleflag = dihedralflag = improperflag = 1; in ComputeStressAtom()
95 bondflag = angleflag = dihedralflag = improperflag = 0; in ComputeStressAtom()
101 else if (strcmp(arg[iarg],"bond") == 0) bondflag = 1; in ComputeStressAtom()
109 bondflag = angleflag = dihedralflag = improperflag = 1; in ComputeStressAtom()
179 if (bondflag && force->bond) { in compute_peratom()
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| H A D | compute_pe.h | 67 int pairflag,bondflag,angleflag,dihedralflag,improperflag,kspaceflag;
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| H A D | compute_pe_atom.h | 70 int pairflag,bondflag,angleflag,dihedralflag,improperflag,kspaceflag;
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| H A D | compute_stress_atom.h | 79 int keflag,pairflag,bondflag,angleflag,dihedralflag,improperflag;
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| H A D | compute_pressure.h | 76 int keflag,pairflag,bondflag,angleflag,dihedralflag,improperflag;
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| H A D | dump_image.cpp | 136 if (atom->nbondtypes == 0) bondflag = NO; in DumpImage()
138 bondflag = YES; in DumpImage()
178 bondflag = YES; in DumpImage()
179 if (strcmp(arg[iarg+1],"none") == 0) bondflag = NO; in DumpImage()
189 else if (strcmp(arg[iarg+2],"none") == 0) bondflag = NO; in DumpImage()
347 if (bondflag) { in DumpImage()
369 if (bondflag) { in DumpImage()
727 if (bondflag) { in create_image()
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| H A D | dump_image.h | 74 int atomflag,bondflag; // 0/1 for draw atoms,bonds
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| /dports/science/lammps/lammps-stable_29Sep2021/src/ |
| H A D | compute_pe.cpp | 48 bondflag = angleflag = dihedralflag = improperflag = 1; in ComputePE()
53 bondflag = angleflag = dihedralflag = improperflag = 0; in ComputePE()
61 bondflag = 1; in ComputePE()
94 if (bondflag && force->bond) one += force->bond->energy; in compute_scalar()
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| H A D | compute_pe_atom.cpp | 49 bondflag = angleflag = dihedralflag = improperflag = 1; in ComputePEAtom()
54 bondflag = angleflag = dihedralflag = improperflag = 0; in ComputePEAtom()
60 else if (strcmp(arg[iarg],"bond") == 0) bondflag = 1; in ComputePEAtom()
128 if (bondflag && force->bond) { in compute_peratom()
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| H A D | compute_pressure.cpp | 73 bondflag = angleflag = dihedralflag = improperflag = 1; in ComputePressure()
78 bondflag = angleflag = dihedralflag = improperflag = 0; in ComputePressure()
114 else if (strcmp(arg[iarg],"bond") == 0) bondflag = 1; in ComputePressure()
122 bondflag = angleflag = dihedralflag = improperflag = 1; in ComputePressure()
192 if (bondflag && force->bond) nvirial++; in init()
210 if (bondflag && force->bond) vptr[nvirial++] = force->bond->virial; in init()
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| H A D | compute_stress_atom.cpp | 71 bondflag = angleflag = dihedralflag = improperflag = 1; in ComputeStressAtom()
77 bondflag = angleflag = dihedralflag = improperflag = 0; in ComputeStressAtom()
84 else if (strcmp(arg[iarg],"bond") == 0) bondflag = 1; in ComputeStressAtom()
92 bondflag = angleflag = dihedralflag = improperflag = 1; in ComputeStressAtom()
179 if (bondflag && force->bond) { in compute_peratom()
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| H A D | compute_centroid_stress_atom.cpp | 71 bondflag = angleflag = dihedralflag = improperflag = 1; in ComputeCentroidStressAtom()
77 bondflag = angleflag = dihedralflag = improperflag = 0; in ComputeCentroidStressAtom()
84 else if (strcmp(arg[iarg],"bond") == 0) bondflag = 1; in ComputeCentroidStressAtom()
92 bondflag = angleflag = dihedralflag = improperflag = 1; in ComputeCentroidStressAtom()
226 if (bondflag && force->bond) { in compute_peratom()
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| H A D | compute_pe.h | 35 int pairflag, bondflag, angleflag, dihedralflag, improperflag, kspaceflag, fixflag;
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| H A D | compute_pe_atom.h | 38 int pairflag, bondflag, angleflag, dihedralflag, improperflag;
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| H A D | compute_stress_atom.h | 38 int keflag, pairflag, bondflag, angleflag, dihedralflag, improperflag;
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| H A D | compute_centroid_stress_atom.h | 38 int keflag, pairflag, bondflag, angleflag, dihedralflag, improperflag;
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| H A D | compute_pressure.h | 46 int keflag, pairflag, bondflag, angleflag, dihedralflag, improperflag; variable
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| H A D | dump_image.h | 57 int bondflag; // 0/1 for draw bonds variable
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| /dports/science/lammps/lammps-stable_29Sep2021/src/BOCS/ |
| H A D | compute_pressure_bocs.cpp | 78 bondflag = angleflag = dihedralflag = improperflag = 1; in ComputePressureBocs()
83 bondflag = angleflag = dihedralflag = improperflag = 0; in ComputePressureBocs()
89 else if (strcmp(arg[iarg],"bond") == 0) bondflag = 1; in ComputePressureBocs()
97 bondflag = angleflag = dihedralflag = improperflag = 1; in ComputePressureBocs()
155 if (bondflag && force->bond) nvirial++; in init()
171 if (bondflag && force->bond) vptr[nvirial++] = force->bond->virial; in init()
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| H A D | compute_pressure_bocs.h | 63 int keflag, pairflag, bondflag, angleflag, dihedralflag, improperflag; variable
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| /dports/science/lammps/lammps-stable_29Sep2021/src/MOLECULE/ |
| H A D | atom_vec_template.cpp | 74 if (onemols[i]->bondflag) bonds_allow = 1; in process_args()
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| /dports/cad/gmsh/gmsh-4.9.2-source/Mesh/ |
| H A D | meshGRegionBoundaryRecovery.cpp | 290 int bondflag; in reconstructmesh() local
382 bondflag = 0; in reconstructmesh()
393 bondflag++; in reconstructmesh()
402 bondflag++; in reconstructmesh()
411 bondflag++; in reconstructmesh()
416 bondflag++; in reconstructmesh()
422 if(bondflag == 3) { in reconstructmesh()
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