/dports/science/py-gpaw/gpaw-21.6.0/gpaw/eigensolvers/ |
H A D | eigensolver.py | 28 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
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H A D | davidson.py | 52 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
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H A D | cg.py | 54 def initialize(self, wfs): argument 61 def iterate_one_k_point(self, ham, wfs, kpt, weights): argument
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H A D | rmmdiis.py | 53 def initialize(self, wfs): argument 63 def iterate_one_k_point(self, ham, wfs, kpt, weights): argument
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/dports/net/py-urllib3/urllib3-1.26.7/test/ |
H A D | test_wait.py | 40 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
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/dports/lang/spidermonkey78/firefox-78.9.0/third_party/python/urllib3/test/ |
H A D | test_wait.py | 38 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
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/tddft/ |
H A D | utils.py | 37 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
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H A D | tdopers.py | 20 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
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/hybrids/ |
H A D | scf.py | 9 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
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H A D | symmetry.py | 46 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
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H A D | forces.py | 11 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
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/ |
H A D | pair_overlap.py | 275 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
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H A D | scf.py | 60 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
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H A D | dscf.py | 132 def calculate_band_energy(self, wfs): argument 187 def expand(self, epsF, wfs, fixmom): argument 287 def expand(self, epsF, wfs, fixmom): argument
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H A D | overlap.py | 38 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
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H A D | forces.py | 8 def calculate_forces(wfs, dens, ham, log=None): argument
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/lcao/ |
H A D | el_ph.py | 321 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
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H A D | eigensolver.py | 32 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
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H A D | atomic_correction.py | 50 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
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/xc/ |
H A D | noncollinear.py | 32 def iterate(self, ham, wfs): argument 45 def iterate_one_k_point(self, ham, wfs, kpt, Vt_xdMM): argument
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/lcaotddft/ |
H A D | densitymatrix.py | 6 def get_density(rho_MM, wfs, density, density_type='comp', u=0): argument 61 def _calculate_density_matrix(self, wfs, kpt): argument
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/dports/lang/gcc11/gcc-11.2.0/libstdc++-v3/testsuite/27_io/basic_fstream/open/wchar_t/ |
H A D | 1.cc | 35 std::wfstream wfs; in test02() local
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/dports/lang/gcc11/gcc-11.2.0/libstdc++-v3/testsuite/27_io/basic_fstream/cons/wchar_t/ |
H A D | 1.cc | 33 std::wfstream wfs(name, std::wios::in|std::wios::out); in test02() local
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/dports/lang/gcc12-devel/gcc-12-20211205/libstdc++-v3/testsuite/27_io/basic_fstream/open/wchar_t/ |
H A D | 1.cc | 35 std::wfstream wfs; in test02() local
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/dports/lang/gcc12-devel/gcc-12-20211205/libstdc++-v3/testsuite/27_io/basic_fstream/cons/wchar_t/ |
H A D | 1.cc | 33 std::wfstream wfs(name, std::wios::in|std::wios::out); in test02() local
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