| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/ |
| H A D | compute_pe.cpp | 78 pairflag = 1; in ComputePE()
83 pairflag = 0; in ComputePE()
88 if (strcmp(arg[iarg],"pair") == 0) pairflag = 1; in ComputePE()
109 if (pairflag && force->pair) in compute_scalar()
123 if (pairflag && force->pair && force->pair->tail_flag) { in compute_scalar()
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| H A D | compute_group_group.cpp | 96 pairflag = 1; in ComputeGroupGroup()
104 if (strcmp(arg[iarg+1],"yes") == 0) pairflag = 1; in ComputeGroupGroup()
105 else if (strcmp(arg[iarg+1],"no") == 0) pairflag = 0; in ComputeGroupGroup()
143 if (pairflag && force->pair == NULL) in init()
155 if (pairflag) { in init()
184 if (pairflag) { in init()
208 if (pairflag) pair_contribution(); in compute_scalar()
223 if (pairflag) pair_contribution(); in compute_vector()
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| H A D | compute_pressure.cpp | 100 pairflag = 1; in ComputePressure()
105 pairflag = 0; in ComputePressure()
110 else if (strcmp(arg[iarg],"pair") == 0) pairflag = 1; in ComputePressure()
118 pairflag = 1; in ComputePressure()
163 if (pairflag && force->pair) nvirial++; in init()
175 if (pairflag && force->pair) vptr[nvirial++] = force->pair->virial; in init()
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| H A D | compute_pe_atom.cpp | 77 pairflag = 1; in ComputePEAtom()
81 pairflag = 0; in ComputePEAtom()
85 if (strcmp(arg[iarg],"pair") == 0) pairflag = 1; in ComputePEAtom()
149 if (pairflag && force->pair) { in compute_peratom()
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| H A D | compute_stress_atom.cpp | 88 pairflag = 1; in ComputeStressAtom()
94 pairflag = 0; in ComputeStressAtom()
100 else if (strcmp(arg[iarg],"pair") == 0) pairflag = 1; in ComputeStressAtom()
108 pairflag = 1; in ComputeStressAtom()
172 if (pairflag && force->pair) { 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 | write_data.cpp | 107 pairflag = II; in command()
116 if (strcmp(arg[iarg+1],"ii") == 0) pairflag = II; in command()
117 else if (strcmp(arg[iarg+1],"ij") == 0) pairflag = IJ; in command()
309 if (pairflag == II) { in force_fields()
312 } else if (pairflag == IJ) { in force_fields()
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| H A D | write_data.h | 68 int pairflag;
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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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| /dports/science/lammps/lammps-stable_29Sep2021/src/ |
| H A D | compute_pe.cpp | 47 pairflag = 1; in ComputePE()
52 pairflag = 0; in ComputePE()
59 pairflag = 1; in ComputePE()
91 if (pairflag && force->pair) one += force->pair->eng_vdwl + force->pair->eng_coul; in compute_scalar()
104 if (pairflag && force->pair && force->pair->tail_flag) { in compute_scalar()
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| H A D | compute_group_group.cpp | 64 pairflag = 1; in ComputeGroupGroup()
74 if (strcmp(arg[iarg+1],"yes") == 0) pairflag = 1; in ComputeGroupGroup()
75 else if (strcmp(arg[iarg+1],"no") == 0) pairflag = 0; in ComputeGroupGroup()
123 if (pairflag && force->pair == nullptr) in init()
136 if (pairflag) { in init()
162 if (pairflag) { in init()
186 if (pairflag) pair_contribution(); in compute_scalar()
201 if (pairflag) pair_contribution(); in compute_vector()
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| H A D | compute_pressure.cpp | 72 pairflag = 1; in ComputePressure()
77 pairflag = 0; in ComputePressure()
113 else if (strcmp(arg[iarg],"pair") == 0) pairflag = 1; in ComputePressure()
121 pairflag = 1; in ComputePressure()
190 if (pairflag && force->pair) nvirial++; in init()
209 if (pairflag && force->pair) vptr[nvirial++] = force->pair->virial; in init()
343 if (force->pair && pairflag && force->pair->tail_flag) in virial_compute()
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| H A D | compute_pe_atom.cpp | 48 pairflag = 1; in ComputePEAtom()
53 pairflag = 0; in ComputePEAtom()
59 if (strcmp(arg[iarg],"pair") == 0) pairflag = 1; in ComputePEAtom()
123 if (pairflag && force->pair && force->pair->compute_flag) { in compute_peratom()
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| H A D | compute_stress_atom.cpp | 70 pairflag = 1; in ComputeStressAtom()
76 pairflag = 0; in ComputeStressAtom()
83 else if (strcmp(arg[iarg],"pair") == 0) pairflag = 1; in ComputeStressAtom()
91 pairflag = 1; in ComputeStressAtom()
172 if (pairflag && force->pair && force->pair->compute_flag) { in compute_peratom()
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| H A D | compute_centroid_stress_atom.cpp | 70 pairflag = 1; in ComputeCentroidStressAtom()
76 pairflag = 0; in ComputeCentroidStressAtom()
83 else if (strcmp(arg[iarg],"pair") == 0) pairflag = 1; in ComputeCentroidStressAtom()
91 pairflag = 1; in ComputeCentroidStressAtom()
129 if (pairflag && force->pair) in init()
204 if (pairflag && force->pair && force->pair->compute_flag) { 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_group_group.h | 41 int pairflag, kspaceflag, boundaryflag, molflag; variable
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| /dports/science/lammps/lammps-stable_29Sep2021/src/BOCS/ |
| H A D | compute_pressure_bocs.cpp | 77 pairflag = 1; in ComputePressureBocs()
82 pairflag = 0; in ComputePressureBocs()
88 else if (strcmp(arg[iarg],"pair") == 0) pairflag = 1; in ComputePressureBocs()
96 pairflag = 1; in ComputePressureBocs()
153 if (pairflag && force->pair) nvirial++; in init()
170 if (pairflag && force->pair) vptr[nvirial++] = force->pair->virial; in init()
439 if (force->pair && pairflag && force->pair->tail_flag) in virial_compute()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/DIELECTRIC/ |
| H A D | compute_efield_atom.cpp | 52 pairflag = 0; in ComputeEfieldAtom()
56 pairflag = 1; in ComputeEfieldAtom()
61 if (strcmp(arg[iarg],"pair") == 0) pairflag = 1; in ComputeEfieldAtom()
164 if (pairflag && force->pair) { in compute_peratom()
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| H A D | compute_efield_atom.h | 39 int pairflag;
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