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Searched refs:atom_no (Results 1 – 25 of 31) sorted by relevance

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/dports/math/eprover/eprover-E-2.0/PROPOSITIONAL/
H A Dcpr_dpllformula.c53 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()
H A Dcpr_dpllformula.h49 long atom_no; member
H A Dcpr_dpll.c113 for(i=1; i<form->atom_no; i++) in DPLLStateAlloc()
/dports/science/py-ase/ase-3.22.0/ase/md/
H A Danalysis.py135 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)
/dports/science/bagel/bagel-1.2.2/src/util/io/
H A Dmoldenin.cc229 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()
/dports/science/drawxtl/DRAWxtl/source/DRAWxtl55/
H A DDRAWxtl1.cxx187 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 …]
H A DDRAWxtl_proto.h385 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]);
H A DGenerate_Drawing.cxx269 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()
H A DDRAWxtlViewUI.h173 int *atom_no; // master list atom and symmetry number variable
H A DCrystalView.cxx128 drvui->atom_no = NULL; in main()
832 if (drvui->atom_no) in Exit_cb()
833 free (drvui->atom_no); in Exit_cb()
/dports/science/siesta/siesta-4.1.5/Src/
H A Dmd_out.F90208 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!!")
/dports/math/eprover/eprover-E-2.0/PYTHON/
H A Dtptp_analyse2.py220 def atom_no(self, tptp): member in tptp_store
H A Dtptp_analyse.py222 def atom_no(self, tptp): member in tptp_store
/dports/lang/gnat_util/gcc-6-20180516/gcc/fortran/
H A Dcheck.c1031 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()
/dports/devel/riscv64-gcc/gcc-8.3.0/gcc/fortran/
H A Dcheck.c1096 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()
/dports/lang/gcc6-aux/gcc-6-20180516/gcc/fortran/
H A Dcheck.c1031 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()
/dports/devel/aarch64-none-elf-gcc/gcc-8.4.0/gcc/fortran/
H A Dcheck.c1096 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()
/dports/lang/gcc9/gcc-9.4.0/gcc/fortran/
H A Dcheck.c1122 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()
/dports/devel/riscv32-unknown-elf-gcc/gcc-8.4.0/gcc/fortran/
H A Dcheck.c1096 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()
/dports/devel/arm-none-eabi-gcc/gcc-8.4.0/gcc/fortran/
H A Dcheck.c1096 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()
/dports/devel/riscv64-none-elf-gcc/gcc-8.4.0/gcc/fortran/
H A Dcheck.c1096 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()
/dports/lang/gcc9-aux/gcc-9.1.0/gcc/fortran/
H A Dcheck.c1111 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()
/dports/lang/gcc9-devel/gcc-9-20211007/gcc/fortran/
H A Dcheck.c1122 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()
/dports/lang/gcc8/gcc-8.5.0/gcc/fortran/
H A Dcheck.c1096 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()
/dports/lang/gcc12-devel/gcc-12-20211205/gcc/fortran/
H A Dcheck.c1569 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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