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Searched defs:wfs (Results 1 – 25 of 114) sorted by relevance

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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/eigensolvers/
H A Deigensolver.py28 def initialize(self, wfs): argument
56 def weights(self, wfs): argument
117 def iterate(self, ham, wfs): argument
148 def calculate_residuals(self, kpt, wfs, ham, psit, P, eps_n, argument
171 def subspace_diagonalize(self, ham, wfs, kpt): argument
232 def estimate_memory(self, mem, wfs): argument
H A Ddavidson.py52 def initialize(self, wfs): argument
74 def estimate_memory(self, mem, wfs): argument
84 def iterate_one_k_point(self, ham, wfs, kpt, weights): argument
H A Dcg.py54 def initialize(self, wfs): argument
61 def iterate_one_k_point(self, ham, wfs, kpt, weights): argument
H A Drmmdiis.py53 def initialize(self, wfs): argument
63 def iterate_one_k_point(self, ham, wfs, kpt, weights): argument
/dports/net/py-urllib3/urllib3-1.26.7/test/
H A Dtest_wait.py40 def test_wait_for_socket(wfs, spair): argument
108 def test_eintr(wfs, spair): argument
139 def test_eintr_zero_timeout(wfs, spair): argument
170 def test_eintr_infinite_timeout(wfs, spair): argument
/dports/lang/spidermonkey78/firefox-78.9.0/third_party/python/urllib3/test/
H A Dtest_wait.py38 def test_wait_for_socket(wfs, spair): argument
106 def test_eintr(wfs, spair): argument
137 def test_eintr_zero_timeout(wfs, spair): argument
168 def test_eintr_infinite_timeout(wfs, spair): argument
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/tddft/
H A Dutils.py37 def __init__(self, wfs, name, interval=1): argument
49 def update(self, wfs): argument
65 def __init__(self, filename, wfs, name, interval=1): argument
78 def __init__(self, wfs, wf_u, P_aui, interval=1): argument
91 def update(self, wfs, calculate_P_ani=False): argument
126 def __init__(self, filename, wfs, overlap, interval=1): argument
139 def __init__(self, wfs, overlap, interval=1): argument
151 def update(self, wfs, calculate_P_ani=False): argument
181 def __init__(self, filename, wfs, overlap, interval=1): argument
H A Dtdopers.py20 def __init__(self, wfs, spos_ac, hamiltonian, td_potential): argument
258 wfs, argument
319 def __init__(self, wfs, spos_ac, strength=[0.0, 0.0, 1e-3]): argument
419 def update_k_point_projections(self, wfs, kpt, psit=None): argument
439 def update(self, wfs): argument
451 def half_update(self, wfs): argument
503 wfs, argument
736 def __init__(self, wfs): argument
798 def add_linear_field(wfs, spos_ac, a_nG, b_nG, strength, kpt): argument
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/hybrids/
H A Dscf.py9 def apply1(kpt, Htpsit_xG, wfs, coulomb, sym, paw): argument
21 def calculate(kpts, wfs, paw, sym, coulomb): argument
117 wfs, argument
237 def apply2(kpt, psit_xG, Htpsit_xG, wfs, coulomb, sym, paw): argument
260 def calculate2(kpt1, kpts2, wfs, paw, sym, coulomb): argument
H A Dsymmetry.py46 def symmetry_operation(self, s: int, wfs, inverse=False): argument
81 def apply_symmetry(self, s: int, rsk, wfs, spos_ac): argument
122 def pairs(self, kpts, wfs, spos_ac): argument
H A Dforces.py11 def calculate_forces(wfs, coulomb, sym, paw_s, ftol=1e-9) -> np.ndarray: argument
42 def forces(kpts, paw, wfs, sym, coulomb, F_av): argument
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/
H A Dpair_overlap.py275 def __init__(self, wfs, atoms): argument
295 def update(self, wfs, atoms): argument
359 def apply_to_atomic_matrices(self, dI_asp, P_axi, wfs, kpt, shape=()): argument
393 wfs, argument
459 wfs, argument
H A Dscf.py60 def irun(self, wfs, ham, dens, log, callback): argument
103 def collect_errors(self, dens, ham, wfs): argument
136 def log(self, log, niter, wfs, ham, dens, errors): argument
H A Ddscf.py132 def calculate_band_energy(self, wfs): argument
187 def expand(self, epsF, wfs, fixmom): argument
287 def expand(self, epsF, wfs, fixmom): argument
H A Doverlap.py38 def apply(self, a_xG, b_xG, wfs, kpt, calculate_P_ani=True): argument
70 def apply_inverse(self, a_xG, b_xG, wfs, kpt, calculate_P_ani=True): argument
H A Dforces.py8 def calculate_forces(wfs, dens, ham, log=None): argument
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/lcao/
H A Del_ph.py321 def get_grid_dP_aMix(spos_ac, wfs, q, timer=nulltimer): # XXXXXX q argument
351 def get_grid2_dP_aMix(spos_ac, wfs, q, *args, **kwargs): # XXXXXX q argument
367 def get_tci_dP_aMix(spos_ac, wfs, q, *args, **kwargs): argument
H A Deigensolver.py32 def calculate_hamiltonian_matrix(self, hamiltonian, wfs, kpt, Vt_xMM=None, argument
85 def iterate(self, hamiltonian, wfs, occ=None): argument
100 def iterate_one_k_point(self, hamiltonian, wfs, kpt, Vt_xMM): argument
H A Datomic_correction.py50 def new_from_wfs(cls, wfs): argument
71 def calculate_projections(self, wfs, kpt): argument
95 def new_from_wfs(cls, wfs): argument
116 def calculate_projections(self, wfs, kpt): argument
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/xc/
H A Dnoncollinear.py32 def iterate(self, ham, wfs): argument
45 def iterate_one_k_point(self, ham, wfs, kpt, Vt_xdMM): argument
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/lcaotddft/
H A Ddensitymatrix.py6 def get_density(rho_MM, wfs, density, density_type='comp', u=0): argument
61 def _calculate_density_matrix(self, wfs, kpt): argument
/dports/lang/gcc11/gcc-11.2.0/libstdc++-v3/testsuite/27_io/basic_fstream/open/wchar_t/
H A D1.cc35 std::wfstream wfs; in test02() local
/dports/lang/gcc11/gcc-11.2.0/libstdc++-v3/testsuite/27_io/basic_fstream/cons/wchar_t/
H A D1.cc33 std::wfstream wfs(name, std::wios::in|std::wios::out); in test02() local
/dports/lang/gcc12-devel/gcc-12-20211205/libstdc++-v3/testsuite/27_io/basic_fstream/open/wchar_t/
H A D1.cc35 std::wfstream wfs; in test02() local
/dports/lang/gcc12-devel/gcc-12-20211205/libstdc++-v3/testsuite/27_io/basic_fstream/cons/wchar_t/
H A D1.cc33 std::wfstream wfs(name, std::wios::in|std::wios::out); in test02() local

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