| /dports/science/py-ase/ase-3.22.0/ase/test/bandstructure/ |
| H A D | test_resolve_custom_kpoints.py | 7 def special_points(): function
12 def test_str(special_points): argument
18 def test_recognize_points_from_coords(special_points): argument
32 def test_autolabel_points_from_coords(kptcoords, special_points): argument
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/EPW/src/ |
| H A D | grid.f90 | 1910 LOGICAL :: sym_found
1912 INTEGER :: ik
1914 INTEGER :: nb
1916 INTEGER :: counter
1918 INTEGER :: nrws
1920 INTEGER :: lower_bnd
1922 INTEGER :: upper_bnd
1924 INTEGER :: n local
1926 INTEGER :: m local
1928 INTEGER :: l local
[all …]
|
| /dports/science/madness/madness-ebb3fd7/src/examples/ |
| H A D | molecularmask.h | 106 std::vector< madness::Vector<double,3> > special_points() const { in special_points() function
148 std::vector< madness::Vector<double,3> > special_points() const { in special_points() function
172 std::vector< madness::Vector<double,3> > special_points() const { in special_points() function
227 std::vector< madness::Vector<double,3> > special_points() const { in special_points() function
266 std::vector< madness::Vector<double,3> > special_points() const { in special_points() function
289 std::vector< madness::Vector<double,3> > special_points() const { in special_points() function
315 std::vector< madness::Vector<double,3> > special_points() const { in special_points() function
|
| H A D | dataloadbal.cc | 173 std::vector<coord_3d> special_points() const { in special_points() function in Gaussian
|
| /dports/science/py-ase/ase-3.22.0/ase/dft/ |
| H A D | kpoints.py | 100 def resolve_kpt_path_string(path, special_points): argument
107 def resolve_custom_points(pathspec, special_points, eps): argument
191 def normalize_special_points(special_points): argument
225 special_points=None, path=None): argument
266 def special_points(self) -> Dict[str, np.ndarray]: member in BandPath
456 def bandpath(path, cell, npoints=None, density=None, special_points=None, argument
561 def labels_from_kpts(kpts, cell, eps=1e-5, special_points=None): argument
|
| /dports/science/madness/madness-ebb3fd7/src/apps/chem/ |
| H A D | SCF.h | 141 std::vector<coordT> special_points() const {return molecule.get_all_coords_vec();} in special_points() function
158 std::vector<coordT> special_points() const { in special_points() function
181 std::vector<coordT> special_points() const { in special_points() function
201 std::vector<coordT> special_points() const { in special_points() function
223 std::vector<coordT> special_points() const { in special_points() function
|
| H A D | potentialmanager.h | 64 std::vector<coord_3d> special_points() const {return molecule.get_all_coords_vec();} in special_points() function
78 std::vector<coord_3d> special_points() const {return molecule.get_all_coords_vec();} in special_points() function
|
| H A D | correlationfactor.h | 456 std::vector<coord_3d> special_points() const { in special_points() function
485 std::vector<coord_3d> special_points() const { in special_points() function
515 std::vector<coord_3d> special_points() const { in special_points() function
552 std::vector<coord_3d> special_points() const { in special_points() function
572 std::vector<coord_3d> special_points() const { in special_points() function
602 std::vector<coord_3d> special_points() const { in special_points() function
624 std::vector<coord_3d> special_points() const { in special_points() function
668 std::vector<coord_3d> special_points() const { in special_points() function
699 std::vector<coord_3d> special_points() const { in special_points() function
727 std::vector<coord_3d> special_points() const { in special_points() function
[all …]
|
| H A D | gth_pseudopotential.h | 61 std::vector<coord_3d> special_points() const {return specialpts;} in special_points() function
343 std::vector<coord_3d> special_points() const {return specialpts;} in special_points() function
|
| /dports/science/madness/madness-ebb3fd7/src/apps/hf/ |
| H A D | electronicstructureapp.h | 97 virtual std::vector<coordT> special_points() const in special_points() function
187 virtual std::vector<coordT> special_points() const in special_points() function
|
| /dports/science/madness/madness-ebb3fd7/src/apps/polar/ |
| H A D | potentialmanager.h | 63 std::vector<coord_3d> special_points() const {return molecule.get_all_coords_vec();} in special_points() function
77 std::vector<coord_3d> special_points() const {return molecule.get_all_coords_vec();} in special_points() function
|
| H A D | preal.cc | 79 std::vector<coord_3d> special_points() const { in special_points() function in AtomicBasisFunctor
99 std::vector<coord_3d> special_points() const{ in special_points() function in NuclearDensityFunctor
119 std::vector<coord_3d> special_points() const {return molecule.get_all_coords_vec();} in special_points() function in MolecularPotentialFunctor
|
| H A D | gth_pseudopotential.h | 36 std::vector<coord_3d> special_points() const {return specialpts;} in special_points() function
182 std::vector<coord_3d> special_points() const {return specialpts;} in special_points() function
284 std::vector<coord_3d> special_points() const {return specialpts;} in special_points() function
350 std::vector<coord_3d> special_points() const {return specialpts;} in special_points() function
409 std::vector<coord_3d> special_points() const {return specialpts;} in special_points() function
|
| H A D | testperiodic.cc | 95 std::vector<coord_3d> special_points() const {return specialpt;} in special_points() function in AtomicBasisFunctor
120 std::vector<coord_3d> special_points() const {return specialpt;} in special_points() function in NuclearDensityFunctor
|
| /dports/science/py-pyscf/pyscf-2.0.1/examples/pbc/ |
| H A D | 09-band_ase.py | 8 from ase.dft.kpoints import sc_special_points as special_points, get_bandpath unknown
|
| /dports/science/madness/madness-ebb3fd7/src/madness/mra/ |
| H A D | function_factory.h | 205 special_points(std::vector<Vector<double, NDIM> > & special_points) { in special_points() argument
|
| H A D | testproj.cc | 64 std::vector<coordT> special_points() const { in special_points() function in Gaussian
|
| H A D | leafop.h | 76 const std::vector<Vector<double, NDIM> > &special_points = f->get_special_points(); in check_special_points() local
214 const std::vector<Vector<double, NDIM> > &special_points = f->get_special_points(); in operator() local
|
| H A D | function_interface.h | 113 virtual std::vector< Vector<double,NDIM> > special_points() const { in special_points() function
|
| /dports/science/madness/madness-ebb3fd7/src/apps/moldft/ |
| H A D | preal.cc | 91 std::vector<coord_3d> special_points() const { in special_points() function in AtomicBasisFunctor
112 std::vector<coord_3d> special_points() const{ in special_points() function in NuclearDensityFunctor
133 std::vector<coord_3d> special_points() const {return molecule.get_all_coords_vec();} in special_points() function in MolecularPotentialFunctor
|
| H A D | testperiodic.cc | 153 std::vector<coord_3d> special_points() const {return specialpt;} in special_points() function in AtomicBasisFunctor
179 std::vector<coord_3d> special_points() const {return specialpt;} in special_points() function in AtomicOrbitalFunctor
214 std::vector<coord_3d> special_points() const {return specialpt;} in special_points() function in NuclearDensityFunctor
|
| /dports/games/doomsday/doomsday-2.3.1/doomsday/external/assimp/tools/assimp_cmd/ |
| H A D | Info.cpp | 271 aiVector3D special_points[3]; in Assimp_Info() local
|
| /dports/games/pioneers/pioneers-15.6/server/ |
| H A D | turn.c | 36 Points *special_points; in build_add() local
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/PW/tools/ |
| H A D | kpoints.f90 | 10 program special_points program
|
| /dports/multimedia/assimp/assimp-5.1.3/tools/assimp_cmd/ |
| H A D | Info.cpp | 366 aiVector3D special_points[3]; in Assimp_Info() local
|