/dports/math/eprover/eprover-E-2.0/PROPOSITIONAL/ |
H A D | cpr_dpllformula.c | 53 old_limit = form->atom_no; in dpll_form_add_atom_space() 71 form->atom_no = new_limit; in dpll_form_add_atom_space() 103 form->atom_no = 0; in DPLLFormulaAlloc() 125 for(i=0; i<junk->atom_no; i++) in DPLLFormulaFree() 162 for(i=0; i<form->atom_no; i++) in DPLLFormulaPrint() 209 while(form->atom_no<=lit) in DPLLRegisterClauseLiteral()
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H A D | cpr_dpllformula.h | 49 long atom_no; member
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H A D | cpr_dpll.c | 113 for(i=1; i<form->atom_no; i++) in DPLLStateAlloc()
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/dports/science/py-ase/ase-3.22.0/ase/md/ |
H A D | analysis.py | 135 for atom_no in self.atom_indices: 136 com_orig += seg[0].positions[atom_no] / len(self.atom_indices) 148 for atom_no in self.atom_indices: 149 sym_index = self.types_of_atoms.index(seg[image_no].symbols[atom_no]) 150 … xyz_disp[sym_index] += np.square(seg[image_no].positions[atom_no] - seg[0].positions[atom_no]) 154 for atom_no in self.atom_indices: 155 com_disp += seg[image_no].positions[atom_no] / len(self.atom_indices)
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/dports/science/bagel/bagel-1.2.2/src/util/io/ |
H A D | moldenin.cc | 229 const int atom_no = lexical_cast<int>(atom_no_str); in read() local 231 gto_order_.push_back(atom_no); in read() 277 …basis_info.insert(pair<int,vector<tuple<string,vector<double>,vector<double>>>>(atom_no, atom_basi… in read()
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/dports/science/drawxtl/DRAWxtl/source/DRAWxtl55/ |
H A D | DRAWxtl1.cxx | 187 j = drvui->atom_no[i] / 1000; in add_vert() 220 drvui->atoms[drvui->atom_no[j] / 1000].atom_l) in add_vert() 236 drvui->atom_no[NvertM++] = no; in add_vert() 1019 j = (int) drvui->atom_no[n] / 1000; /* extract atom number */ in find_all_in_box() 2842 *occ = drvui->atoms[atom_no].occupancy; in modulate_parameters() 2848 if (theatom != atom_no) in modulate_parameters() 2857 if (*occ < drvui->atoms[atom_no].min_occ) { in modulate_parameters() 2872 if (theatom != atom_no) in modulate_parameters() 2891 …if ((drvui->atoms[atom_no].occ_ismod & 1) ^ (drvui->atoms[atom_no].atom_ismod & 1)) { // undo any … in modulate_parameters() 2898 / drvui->modulate_x[atom_no].atom_mod_sawtooth[4]); in modulate_parameters() [all …]
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H A D | DRAWxtl_proto.h | 385 void modulate_parameters (float vert[3], double *occ, int sym_no, int atom_no); 387 int modulate_uij (float vert[3], int ellips_no, int atom_no, int sym_no, float uij[6]);
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H A D | Generate_Drawing.cxx | 269 if (drvui->atom_no) { in Generate_Drawing() 270 free (drvui->atom_no); in Generate_Drawing() 271 drvui->atom_no = NULL; in Generate_Drawing() 274 (drvui->atom_no = in Generate_Drawing() 456 if (atom != drvui->atom_no[j] / 100) in Generate_Drawing() 458 sym = drvui->atom_no[j] % 100; in Generate_Drawing()
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H A D | DRAWxtlViewUI.h | 173 int *atom_no; // master list atom and symmetry number variable
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H A D | CrystalView.cxx | 128 drvui->atom_no = NULL; in main() 832 if (drvui->atom_no) in Exit_cb() 833 free (drvui->atom_no); in Exit_cb()
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/dports/science/siesta/siesta-4.1.5/Src/ |
H A D | md_out.F90 | 208 iret = nf90_inquire_dimension(ncid, dimid=atom_id, len=atom_no) 211 if (atom_no /= na) call die("Wrong number of atoms in existing NC set!!")
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/dports/math/eprover/eprover-E-2.0/PYTHON/ |
H A D | tptp_analyse2.py | 220 def atom_no(self, tptp): member in tptp_store
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H A D | tptp_analyse.py | 222 def atom_no(self, tptp): member in tptp_store
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/dports/lang/gnat_util/gcc-6-20180516/gcc/fortran/ |
H A D | check.c | 1031 gfc_check_atomic (gfc_expr *atom, int atom_no, gfc_expr *value, int val_no, in gfc_check_atomic() argument 1034 if (!scalar_check (atom, atom_no) || !scalar_check (value, val_no)) in gfc_check_atomic() 1059 gfc_current_intrinsic_arg[atom_no]->name, &atom->where); in gfc_check_atomic()
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/dports/devel/riscv64-gcc/gcc-8.3.0/gcc/fortran/ |
H A D | check.c | 1096 gfc_check_atomic (gfc_expr *atom, int atom_no, gfc_expr *value, int val_no, in gfc_check_atomic() argument 1099 if (!scalar_check (atom, atom_no) || !scalar_check (value, val_no)) in gfc_check_atomic() 1124 gfc_current_intrinsic_arg[atom_no]->name, &atom->where); in gfc_check_atomic()
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/dports/lang/gcc6-aux/gcc-6-20180516/gcc/fortran/ |
H A D | check.c | 1031 gfc_check_atomic (gfc_expr *atom, int atom_no, gfc_expr *value, int val_no, in gfc_check_atomic() argument 1034 if (!scalar_check (atom, atom_no) || !scalar_check (value, val_no)) in gfc_check_atomic() 1059 gfc_current_intrinsic_arg[atom_no]->name, &atom->where); in gfc_check_atomic()
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/dports/devel/aarch64-none-elf-gcc/gcc-8.4.0/gcc/fortran/ |
H A D | check.c | 1096 gfc_check_atomic (gfc_expr *atom, int atom_no, gfc_expr *value, int val_no, in gfc_check_atomic() argument 1099 if (!scalar_check (atom, atom_no) || !scalar_check (value, val_no)) in gfc_check_atomic() 1124 gfc_current_intrinsic_arg[atom_no]->name, &atom->where); in gfc_check_atomic()
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/dports/lang/gcc9/gcc-9.4.0/gcc/fortran/ |
H A D | check.c | 1122 gfc_check_atomic (gfc_expr *atom, int atom_no, gfc_expr *value, int val_no, in gfc_check_atomic() argument 1125 if (!scalar_check (atom, atom_no) || !scalar_check (value, val_no)) in gfc_check_atomic() 1150 gfc_current_intrinsic_arg[atom_no]->name, &atom->where); in gfc_check_atomic()
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/dports/devel/riscv32-unknown-elf-gcc/gcc-8.4.0/gcc/fortran/ |
H A D | check.c | 1096 gfc_check_atomic (gfc_expr *atom, int atom_no, gfc_expr *value, int val_no, in gfc_check_atomic() argument 1099 if (!scalar_check (atom, atom_no) || !scalar_check (value, val_no)) in gfc_check_atomic() 1124 gfc_current_intrinsic_arg[atom_no]->name, &atom->where); in gfc_check_atomic()
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/dports/devel/arm-none-eabi-gcc/gcc-8.4.0/gcc/fortran/ |
H A D | check.c | 1096 gfc_check_atomic (gfc_expr *atom, int atom_no, gfc_expr *value, int val_no, in gfc_check_atomic() argument 1099 if (!scalar_check (atom, atom_no) || !scalar_check (value, val_no)) in gfc_check_atomic() 1124 gfc_current_intrinsic_arg[atom_no]->name, &atom->where); in gfc_check_atomic()
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/dports/devel/riscv64-none-elf-gcc/gcc-8.4.0/gcc/fortran/ |
H A D | check.c | 1096 gfc_check_atomic (gfc_expr *atom, int atom_no, gfc_expr *value, int val_no, in gfc_check_atomic() argument 1099 if (!scalar_check (atom, atom_no) || !scalar_check (value, val_no)) in gfc_check_atomic() 1124 gfc_current_intrinsic_arg[atom_no]->name, &atom->where); in gfc_check_atomic()
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/dports/lang/gcc9-aux/gcc-9.1.0/gcc/fortran/ |
H A D | check.c | 1111 gfc_check_atomic (gfc_expr *atom, int atom_no, gfc_expr *value, int val_no, in gfc_check_atomic() argument 1114 if (!scalar_check (atom, atom_no) || !scalar_check (value, val_no)) in gfc_check_atomic() 1139 gfc_current_intrinsic_arg[atom_no]->name, &atom->where); in gfc_check_atomic()
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/dports/lang/gcc9-devel/gcc-9-20211007/gcc/fortran/ |
H A D | check.c | 1122 gfc_check_atomic (gfc_expr *atom, int atom_no, gfc_expr *value, int val_no, in gfc_check_atomic() argument 1125 if (!scalar_check (atom, atom_no) || !scalar_check (value, val_no)) in gfc_check_atomic() 1150 gfc_current_intrinsic_arg[atom_no]->name, &atom->where); in gfc_check_atomic()
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/dports/lang/gcc8/gcc-8.5.0/gcc/fortran/ |
H A D | check.c | 1096 gfc_check_atomic (gfc_expr *atom, int atom_no, gfc_expr *value, int val_no, in gfc_check_atomic() argument 1099 if (!scalar_check (atom, atom_no) || !scalar_check (value, val_no)) in gfc_check_atomic() 1124 gfc_current_intrinsic_arg[atom_no]->name, &atom->where); in gfc_check_atomic()
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/dports/lang/gcc12-devel/gcc-12-20211205/gcc/fortran/ |
H A D | check.c | 1569 gfc_check_atomic (gfc_expr *atom, int atom_no, gfc_expr *value, int val_no, in gfc_check_atomic() argument 1572 if (!scalar_check (atom, atom_no) || !scalar_check (value, val_no)) in gfc_check_atomic() 1597 gfc_current_intrinsic_arg[atom_no]->name, &atom->where); in gfc_check_atomic()
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