| /dports/math/cgal/CGAL-5.3/include/CGAL/ |
| H A D | Buffer_for_vao.h | 217 template<typename KPoint>
235 template<typename KPoint>
246 template<typename KPoint>
262 template<typename KPoint>
263 void add_segment(const KPoint& kp1, const KPoint& kp2)
270 template<typename KPoint>
271 void add_segment(const KPoint& kp1, const KPoint& kp2, const CGAL::IO::Color& c)
306 template<typename KPoint>
307 void add_line_segment(const KPoint& kp1, const KPoint& kp2)
314 template<typename KPoint>
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| /dports/science/madness/madness-ebb3fd7/src/apps/hf/ |
| H A D | esolver.h | 136 struct KPoint struct
145 KPoint() in KPoint() argument
153 KPoint(const coordT& k, const double& weight, const int& begin, in KPoint() argument
157 KPoint(const coordT& k, const double& weight) in KPoint() argument
160 KPoint(const double& k0, const double& k1, const double& k2, const double& weight) in KPoint() argument
178 std::istream& operator >> (std::istream& is, KPoint& kpt) argument
220 const KPoint k = KPoint(coordT(0.0), 0.0))
275 const KPoint k = KPoint(coordT(0.0), 0.0))
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| H A D | solver.h | 217 std::vector<KPoint> _kpoints;
269 KPoint kpoint = _kpoints[kp]; in update_subspace()
431 std::vector<KPoint> _kpoints;
670 std::vector<KPoint> _kpoints;
893 std::vector<KPoint> kmesh; in genkmesh()
958 KPoint tkpt; in load_orbitals()
1902 KPoint k = kpoints[ik]; in set_occs2()
1987 KPoint k = kpoints[ik]; in set_occs2()
2021 KPoint kpoint = kpoints[kp]; in compute_rho_slow()
2357 KPoint k1 = _kpoints[i]; in find_kpt_from_orb()
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| H A D | eigsolver.h | 62 class KPoint
65 KPoint(double kx, double ky, double kz, double weight) in KPoint() function
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| H A D | electronicstructureapp.h | 161 const KPoint kpt;
170 bool periodic, const KPoint kpt) in AtomicBasisFunctor()
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| /dports/math/cgal/CGAL-5.3/include/CGAL/Qt/ |
| H A D | Basic_viewer_qt.h | 316 template<typename KPoint>
320 template<typename KPoint>
324 template<typename KPoint>
325 void add_segment(const KPoint& p1, const KPoint& p2) in add_segment()
328 template<typename KPoint>
329 void add_segment(const KPoint& p1, const KPoint& p2, in add_segment()
384 template<typename KPoint>
391 template<typename KPoint>
395 template<typename KPoint>
425 template<typename KPoint>
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| /dports/science/py-gpaw/gpaw-21.6.0/gpaw/hybrids/ |
| H A D | kpts.py | 10 class KPoint: class
24 class PWKPoint(KPoint):
27 KPoint.__init__(self, *args)
30 class RSKPoint(KPoint):
33 KPoint.__init__(self, *args)
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCTools/ |
| H A D | WriteEshdf.cpp | 21 class KPoint class
27 KPoint() in KPoint() function in KPoint
33 KPoint(double x, double y, double z) in KPoint() function in KPoint
39 KPoint(const KPoint& kp) in KPoint() function in KPoint
45 KPoint& operator=(const KPoint& kp) in operator =()
52 bool operator==(const KPoint& kp) const in operator ==()
60 bool operator<(const KPoint& kp) const in operator <()
585 KPoint kpt; in processKPts()
1009 vector<KPoint> kpts; in writeQEElectrons()
1060 vector<KPoint> kpts; in writeQboxElectrons()
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| H A D | WriteEshdf.h | 25 class KPoint; variable
84 std::vector<KPoint>& kpts,
105 KPoint& kpt,
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| /dports/science/py-gpaw/gpaw-21.6.0/gpaw/lcao/ |
| H A D | scissors.py | 9 from gpaw.kpoint import KPoint
55 kpt: KPoint, argument
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| /dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/exx/ |
| H A D | test_forces_ut.py | 8 from gpaw.kpoint import KPoint
88 kpt = KPoint(1.0, 1.0, 0, 0, 0, None)
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| /dports/science/py-gpaw/gpaw-21.6.0/gpaw/ |
| H A D | kpoint.py | 9 class KPoint: class
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| H A D | kpt_descriptor.py | 16 from gpaw.kpoint import KPoint
289 kpt_qs.append([KPoint(weightk, weight, s, k, q, phase_cd)
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| H A D | spinorbit.py | 12 from gpaw.kpoint import KPoint
376 def extract_ibz_wave_functions(kpt_qs: List[List[KPoint]], argument
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| /dports/science/py-gpaw/gpaw-21.6.0/gpaw/wavefunctions/ |
| H A D | fd.py | 5 from gpaw.kpoint import KPoint
177 kpt2 = KPoint(1.0 / kd.nbzkpts, weight, s, k, k, phase_cd)
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| /dports/science/py-gpaw/gpaw-21.6.0/gpaw/response/ |
| H A D | pair.py | 26 class KPoint: class
849 return KPoint(s, K, n1, n2, blocksize, na, nb,
866 return KPoint(s, K, n1, n2, blocksize, na, nb,
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| /dports/science/dftbplus/dftbplus-19.1/prog/dftb+/lib_dftbplus/ |
| H A D | initprogram.F90 | 1155 @:ASSERT(all(shape(kPoint) == shape(input%ctrl%KPoint)))
1157 kPoint(:,:) = input%ctrl%KPoint(:,:)
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