| /dports/science/cdk/cdk-cdk-2.3/base/test-standard/src/test/java/org/openscience/cdk/graph/invariant/ |
| H A D | CanonTest.java | 54 long[] symmetry = Canon.symmetry(m, GraphUtil.toAdjList(m)); in phenol_symmetry() local
154 long[] symmetry = Canon.symmetry(m, GraphUtil.toAdjList(m)); in explicitHydrogensOfEthanolHaveSymmetry() local
161 long[] symmetry = Canon.symmetry(m, GraphUtil.toAdjList(m)); in explicitHydrogensDoNotAffectHeavySymmetry() local
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| /dports/science/elk/elk-7.2.42/src/ |
| H A D | symmetry.f90 | 6 subroutine symmetry subroutine
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| /dports/science/v_sim/v_sim-3.8.0/lib/plug-ins/msym/ |
| H A D | msym.c | 73 static VisuMolSymmetry *symmetry = NULL; variable
147 static void _addThreshold(GtkBox *vbox, VisuMolSymmetry *symmetry, in _addThreshold()
242 static void onSymClicked(VisuMolSymmetry *symmetry, GtkWidget *source) in onSymClicked()
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| /dports/science/py-spglib/spglib-1.16.2/src/ |
| H A D | symmetry.c | 138 Symmetry *symmetry; in sym_alloc_symmetry() local
177 void sym_free_symmetry(Symmetry *symmetry) in sym_free_symmetry()
201 const Symmetry * symmetry, in sym_reduce_operation()
246 Symmetry *symmetry, *symmetry_reduced; in sym_reduce_pure_translation() local
304 Symmetry *symmetry; in get_operations() local
328 const Symmetry * symmetry, in reduce_operation()
668 Symmetry *symmetry; in get_space_group_operations() local
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| /dports/science/gabedit/GabeditSrc251_300720/spglib/ |
| H A D | symmetry.c | 138 Symmetry *symmetry; in sym_alloc_symmetry() local
177 void sym_free_symmetry(Symmetry *symmetry) in sym_free_symmetry()
201 const Symmetry * symmetry, in sym_reduce_operation()
246 Symmetry *symmetry, *symmetry_reduced; in sym_reduce_pure_translation() local
304 Symmetry *symmetry; in get_operations() local
328 const Symmetry * symmetry, in reduce_operation()
668 Symmetry *symmetry; in get_space_group_operations() local
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| /dports/science/spglib/spglib-1.16.2/src/ |
| H A D | symmetry.c | 138 Symmetry *symmetry; in sym_alloc_symmetry() local
177 void sym_free_symmetry(Symmetry *symmetry) in sym_free_symmetry()
201 const Symmetry * symmetry, in sym_reduce_operation()
246 Symmetry *symmetry, *symmetry_reduced; in sym_reduce_pure_translation() local
304 Symmetry *symmetry; in get_operations() local
328 const Symmetry * symmetry, in reduce_operation()
668 Symmetry *symmetry; in get_space_group_operations() local
|
| /dports/science/berkeleygw/BGW-2.0.0/MeanField/spglib-1.0.9/ |
| H A D | symmetry.c | 91 Symmetry *symmetry; in sym_alloc_symmetry() local
112 void sym_free_symmetry( Symmetry *symmetry ) in sym_free_symmetry()
129 Symmetry *symmetry; in sym_get_operation() local
163 SPGCONST Symmetry * symmetry, in sym_reduce_operation()
221 Symmetry *symmetry, *symmetry_reduced; in sym_reduce_pure_translation() local
320 SPGCONST Symmetry * symmetry, in reduce_operation()
|
| /dports/math/py-networkx/networkx-2.6.3/networkx/algorithms/isomorphism/ |
| H A D | ismags.py | 443 def find_isomorphisms(self, symmetry=True): argument
540 def largest_common_subgraph(self, symmetry=True): argument
617 def is_isomorphic(self, symmetry=False): argument
630 def subgraph_is_isomorphic(self, symmetry=False): argument
645 def isomorphisms_iter(self, symmetry=True): argument
653 def subgraph_isomorphisms_iter(self, symmetry=True): argument
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| /dports/math/mumps/mumps-5.1.2/src/ |
| H A D | ana_set_ordering.F | 14 & symmetry, NBQD, AvgDens, argument
18 INTEGER, intent(in) :: symmetry, NBQD, AvgDens, MP local
|
| /dports/biology/iqtree/IQ-TREE-2.0.6/model/ |
| H A D | modelliemarkov.h | 101 int symmetry; // RY->0, WS->1, MK->2 variable
|
| /dports/games/ksudoku/ksudoku-21.12.3/src/gui/ |
| H A D | welcomescreen.cpp | 107 int WelcomeScreen::symmetry() const { in symmetry() function in ksudoku::WelcomeScreen
111 void WelcomeScreen::setSymmetry(int symmetry) { in setSymmetry()
|
| /dports/science/jmol/jmol-14.32.7/src/org/jmol/adapter/smarter/ |
| H A D | MSInterface.java | 30 void setModulation(boolean isPost, SymmetryInterface symmetry) throws Exception; in setModulation()
32 SymmetryInterface getAtomSymmetry(Atom a, SymmetryInterface symmetry); in getAtomSymmetry()
|
| /dports/misc/visp/visp-3.4.0/modules/core/test/math/ |
| H A D | testMomentAlpha.cpp | 54 int test_moment_alpha(const std::string &name, bool symmetry, const std::vector<int> &vec_angle, do… in test_moment_alpha()
182 bool symmetry; in main() local
|
| /dports/science/py-phonopy/phonopy-2.11.0/phonopy/harmonic/ |
| H A D | force_constants.py | 43 symmetry, argument
61 symmetry, argument
356 def set_tensor_symmetry(force_constants, argument
408 def set_tensor_symmetry_PJ(force_constants, argument
684 symmetry, argument
|
| H A D | displacement.py | 74 def get_least_displacements(symmetry, argument
262 def print_displacements(symmetry, argument
|
| /dports/science/phonopy/phonopy-2.11.0/phonopy/harmonic/ |
| H A D | force_constants.py | 43 symmetry, argument
61 symmetry, argument
356 def set_tensor_symmetry(force_constants, argument
408 def set_tensor_symmetry_PJ(force_constants, argument
684 symmetry, argument
|
| H A D | displacement.py | 74 def get_least_displacements(symmetry, argument
262 def print_displacements(symmetry, argument
|
| /dports/science/py-gpaw/gpaw-21.6.0/gpaw/ |
| H A D | kpt_refine.py | 37 symmetry, comm, timer): argument
107 def create_kpoint_descriptor(bzkpts_kc, nspins, atoms, symmetry, comm): argument
272 def prune_symmetries_kpoints(kd, symmetry): argument
|
| /dports/science/py-phonopy/phonopy-2.11.0/phonopy/cui/ |
| H A D | show_symmetry.py | 79 def _get_symmetry_yaml(cell, symmetry, phonopy_version=None): argument
|
| /dports/science/py-gpaw/gpaw-21.6.0/gpaw/utilities/ |
| H A D | gpts.py | 10 symmetry=None, log=None): argument
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/scf_dft/ |
| H A D | dft_s2_value.F | 1 subroutine dft_s2_value(geom,basis,symmetry,na,nb, argument
|
| /dports/math/GiNaC/ginac-1.8.2/ginac/ |
| H A D | indexed.h | 34 class symmetry; variable
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/scf_dft/ |
| H A D | dft_s2_value.F | 1 subroutine dft_s2_value(geom,basis,symmetry,na,nb, argument
|
| /dports/science/phonopy/phonopy-2.11.0/phonopy/cui/ |
| H A D | show_symmetry.py | 79 def _get_symmetry_yaml(cell, symmetry, phonopy_version=None): argument
|
| /dports/science/cdk/cdk-cdk-2.3/base/standard/src/main/java/org/openscience/cdk/graph/invariant/ |
| H A D | Canon.java | 85 private final long[] labelling, symmetry; field in Canon
188 public static long[] symmetry(IAtomContainer container, int[][] g) { in symmetry() method in Canon
228 long[] symmetry = null; in refine() local
|