/dports/science/phonopy/phonopy-2.11.0/example/NaCl/ |
H A D | NaCl.py | 37 symmetry = phonon.get_symmetry() variable
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/dports/graphics/aseprite/aseprite-1.2.9/src/app/tools/ |
H A D | intertwine.cpp | 32 Symmetry* symmetry = loop->getSymmetry(); in doPointshapePoint() local
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/dports/science/clipper/clipper-2.1/clipper/minimol/ |
H A D | minimol_utils.h | 84 const int& symmetry() const { return s; } //!< return symmetry index in symmetry() function
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/dports/science/bagel/bagel-1.2.2/src/integral/ecp/test/1c-ECP/ |
H A D | ecp_cuh.json | 5 "symmetry" : "C1", string
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H A D | ecp_cuh2.json | 5 "symmetry" : "C1", string
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/dports/science/bagel/bagel-1.2.2/src/integral/ecp/test/2c-ECP/ |
H A D | ecp_cuh.json | 5 "symmetry" : "C1", string
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H A D | ecp_cuh2.json | 5 "symmetry" : "C1", string
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/ao2mo/ |
H A D | addons.py | 60 def restore(symmetry, eri, norb, tao=None): argument
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/dports/science/py-ase/ase-3.22.0/ase/calculators/ |
H A D | psi4.py | 157 system_changes=all_changes, symmetry='c1'): argument
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/dports/science/cdk/cdk-cdk-2.3/base/standard/src/main/java/org/openscience/cdk/stereo/ |
H A D | Stereocenters.java | 186 int[] symmetry = toIntArray(Canon.symmetry(container, g)); in checkSymmetry() local 365 private void labelTrueCenters(final int[] symmetry) { in labelTrueCenters() 409 private void labelIsolatedPara(int[] symmetry) { in labelIsolatedPara()
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/dports/games/leela-zero/leela-zero-0.17/src/ |
H A D | Network.cpp | 735 const GameState* const state, const Ensemble ensemble, const int symmetry, in get_output() 803 const GameState* const state, const int symmetry, bool selfcheck) { in get_output_internal() 911 const int symmetry) { in fill_input_plane_pair() 926 const int symmetry) { in gather_features() 959 const int symmetry, in get_symmetry()
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/dports/science/py-phonopy/phonopy-2.11.0/phonopy/interface/ |
H A D | turbomole.py | 219 symmetry = Symmetry(cell) variable
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/dports/science/phonopy/phonopy-2.11.0/phonopy/interface/ |
H A D | turbomole.py | 219 symmetry = Symmetry(cell) variable
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/lcao/ |
H A D | tools.py | 81 symmetry={'enabled': False}): argument 323 symmetry={'point_group': False}): argument
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/dports/math/fftw-float/fftw-2.1.5/gensrc/ |
H A D | symmetry.ml | 34 type symmetry = { type
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/dports/math/fftw/fftw-2.1.5/gensrc/ |
H A D | symmetry.ml | 34 type symmetry = { type
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/dports/math/stanmath/math-4.2.0/test/unit/math/prim/fun/ |
H A D | cov_matrix_transform_test.cpp | 49 TEST(covMatrixTransform, symmetry) { in TEST() argument
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/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/src/tests/ |
H A D | test_eigen.cc | 39 bool symmetry = true; in BOOST_AUTO_TEST_CASE() local
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/dports/games/ksudoku/ksudoku-21.12.3/src/generator/ |
H A D | sudokuboard.cpp | 78 Symmetry symmetry) in generatePuzzle() 124 Symmetry symmetry) in generateSudokuRoxdokuTypes() 439 const Symmetry symmetry) in insertValues() 498 const Symmetry symmetry) in removeValues()
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/dports/math/GiNaC/ginac-1.8.2/ginac/ |
H A D | symmetry.cpp | 61 symmetry::symmetry() : type(none) in symmetry() function in GiNaC::symmetry 70 symmetry::symmetry(unsigned i) : type(none) in symmetry() function in GiNaC::symmetry 76 symmetry::symmetry(symmetry_type t, const symmetry &c1, const symmetry &c2) : type(t) in symmetry() function in GiNaC::symmetry
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/dports/science/py-spglib/spglib-1.16.2/src/ |
H A D | spg_database.c | 8545 Symmetry *symmetry; in spgdb_get_spacegroup_operations() local
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/dports/science/gabedit/GabeditSrc251_300720/spglib/ |
H A D | spg_database.c | 8546 Symmetry *symmetry; in spgdb_get_spacegroup_operations() local
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/dports/science/octopus/octopus-10.5/external_libs/spglib-1.9.9/src/ |
H A D | spg_database.c | 8546 Symmetry *symmetry; in spgdb_get_spacegroup_operations() local
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/dports/science/spglib/spglib-1.16.2/src/ |
H A D | spg_database.c | 8545 Symmetry *symmetry; in spgdb_get_spacegroup_operations() local
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/dports/games/simsu/simsu-1.4.0/src/ |
H A D | puzzle.cpp | 50 void Puzzle::generate(int symmetry, int difficulty) in generate()
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