/dports/science/py-ase/ase-3.22.0/ase/test/calculator/vasp/ |
H A D | test_vasp_setup.py | 7 def check_potcar(setups, filename='POTCAR'): argument 15 for setup in setups: 52 (dict(xc='pbe', setups='recommended'), ('Ca_sv', 'Gd_3', 'Cs_sv')), 53 (dict(xc='pbe', setups='materialsproject'), ('Ca_sv', 'Gd', 'Cs_sv')), 65 (dict(xc='pbe', setups={'base': 'gw'}), ('Ca_sv_GW', 'In_d_GW', 'I_GW')), 66 (dict(xc='pbe', setups={ 70 (dict(xc='pbe', setups={ 83 (dict(xc='pbe', setups='recommended'), ('Ca_sv', 'Gd_31', 'Cs_sv')), 84 (dict(xc='pbe', setups='materialsproject'), ('Ca_sv', 'Gd', 'Cs')),
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/ |
H A D | density.py | 25 def __init__(self, setups, nspins): argument 26 self.setups = setups 39 setup = self.setups[a] 120 self.setups = None 165 self.setups = setups 411 setup = self.setups[a] 466 for a, id in enumerate(self.setups.id_a): 611 natoms = len(self.setups) 672 for setup in setups: 762 natoms = len(setups) [all …]
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H A D | pair_overlap.py | 13 def __init__(self, gd, setups): argument 15 self.setups = setups 16 self.ni_a = np.cumsum([0] + [setup.ni for setup in self.setups]) 100 assert self.setups[ 122 assert self.setups[ 289 GridPairOverlap.__init__(self, wfs.gd, wfs.setups) 292 assert len(self.setups) == self.natoms 328 for a, setup in enumerate(self.setups): 379 Q_xi = np.zeros(shape + (self.setups[a1].ni, ), 431 Q_xi[:] = np.dot(P_axi[a], self.setups[a].dO_ii) [all …]
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H A D | overlap.py | 15 def __init__(self, setups): argument 16 self.setups = setups 22 dS_ii = self.setups[a].dO_ii 66 P_axi[a] = np.dot(P_xi, wfs.setups[a].dO_ii) 84 P_axi[a] = np.dot(P_xi, wfs.setups[a].dC_ii)
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H A D | zero_field_splitting.py | 57 setups: List[Setup], 66 self.setups = setups 73 self.setups, 90 calc.setups, 99 compensation_charge = PWLFC([data.ghat_l for data in wf.setups], wf.pd) 109 setups = wf1.setups 123 Q_aL[a] = np.einsum('ij, ijL -> L', D_ii, setups[a].Delta_iiL) 141 D_nii, setups[a].Delta_iiL)
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H A D | pair_density.py | 21 for setup in density.setups], 62 Q_aL[a] = np.dot(D_p, self.density.setups[a].Delta_pL) 80 self.setups = paw.wfs.setups 159 Q_aL[a] = np.dot(D_p, self.setups[a].Delta_pL) 168 for setup in self.setups], 199 for a, id in enumerate(self.setups.id_a): 204 phi_j, phit_j = self.setups[a].get_partial_waves()[:2] 235 for a, setup in enumerate(self.setups):
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/dports/net-mgmt/promscale/promscale-0.6.2/vendor/github.com/thanos-io/thanos/pkg/extkingpin/ |
H A D | app.go | 84 setups map[string]SetupFunc member 100 setups: map[string]SetupFunc{}, 111 return cmd, a.setups[cmd] 119 setups: a.setups, 128 setups map[string]SetupFunc member 137 setups: a.setups, 143 a.setups[a.prefix] = s
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/dports/www/chromium-legacy/chromium-88.0.4324.182/native_client/buildbot/ |
H A D | buildbot_spec2k.sh | 100 local setups="$1" 107 for setup in ${setups}; do 118 local setups="$1" 125 for setup in ${setups}; do 385 build-tests "${setups}" all 1 3 386 run-tests "${setups}" all 1 3 406 run-tests "${setups}" all 1 3 416 local setups="SetupNaclX8632 \ 419 run-tests "${setups}" all 1 3 429 local setups="SetupNaclX8664 \ [all …]
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/dports/devel/automake/automake-1.16.5/ |
H A D | gen-testsuite-part | 273 my @setups = (''); 280 @setups = map { ($_, "$_\n$x->{shell_setup_code}") } @setups; 282 @setups = grep { $_ ne '' } @setups; 283 $wrapper_setups{$test} = \@setups if @setups;
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/dports/net-mgmt/promscale/promscale-0.6.2/.github/workflows/ |
H A D | go.yml | 108 test-setups: 142 - name: Test ${{ matrix.test-setups.name }} 144 PG: ${{ matrix.test-setups.pg }} 145 EXT: ${{ matrix.test-setups.ext }} 146 TSDB: ${{ matrix.test-setups.tsdb }} 147 TSDB2: ${{ matrix.test-setups.tsdb2 }} 148 MULTI: ${{ matrix.test-setups.multi }} 149 TSDBOSS: ${{ matrix.test-setups.tsdboss }} 150 SHORTNAME: ${{ matrix.test-setups.shortname }} 156 SHORTNAME: ${{ matrix.test-setups.shortname }} [all …]
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/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/ext/sundials/examples/cvode/serial/ |
H A D | cvPendulum_dns.out | 4 Project x y x' y' | g | nst rhs eval setups (J eva… 10 Project x y x' y' | g | nst rhs eval setups (J eva… 16 Project x y x' y' | g | nst rhs eval setups (J eva… 22 Project x y x' y' | g | nst rhs eval setups (J eva… 28 Project x y x' y' | g | nst rhs eval setups (J eva…
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H A D | cvDirectDemo_ls.out | 25 Number of setups = 0 51 Number of setups = 46 82 Number of setups = 34 113 Number of setups = 40 143 Number of setups = 0 169 Number of setups = 40 200 Number of setups = 40 231 Number of setups = 39 271 Number of setups = 0 298 Number of setups = 33 [all …]
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/dports/net/waypipe/waypipe-a11a59c58bee3972ce9e1e18731eba28cc0a8f0a/test/ |
H A D | build_matrix.py | 13 setups = [ variable 80 setups.append( 85 setups = [(s, c, e) for s, c, e in setups if s == sys.argv[3]] variable 88 for key, options, env in setups:
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/dports/math/sundials/sundials-5.7.0/examples/cvode/serial/ |
H A D | cvPendulum_dns.out | 4 Project x y x' y' | g | nst rhs eval setups (J eva… 10 Project x y x' y' | g | nst rhs eval setups (J eva… 16 Project x y x' y' | g | nst rhs eval setups (J eva… 22 Project x y x' y' | g | nst rhs eval setups (J eva… 28 Project x y x' y' | g | nst rhs eval setups (J eva…
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H A D | cvDirectDemo_ls.out | 25 Number of setups = 0 51 Number of setups = 46 82 Number of setups = 34 113 Number of setups = 40 143 Number of setups = 0 169 Number of setups = 40 200 Number of setups = 40 231 Number of setups = 39 271 Number of setups = 0 298 Number of setups = 33 [all …]
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/dports/devel/upp/upp/uppsrc/ide/ |
H A D | Methods.cpp | 501 for(int i = 0; i < setups.GetCount(); i++) { in NewBuilder() 504 setups[i].setupCtrl->New(builderName); in NewBuilder() 531 for(int i = 0; i < setups.GetCount(); i++) { in Load() 541 setups[setupIdx].setupCtrl->OnLoad(); in Load() 637 for(int i = 0; i < setups.GetCount(); i++) { in InitSetups() 672 for(int i = 0; i < setups.GetCount(); i++) { in SwitchSetupView() 676 setups[i].setupCtrl->Show(); in SwitchSetupView() 677 setups[i].setupCtrl->OnShow(); in SwitchSetupView() 680 setups[i].setupCtrl->Hide(); in SwitchSetupView() 698 for(int j = 0; j < setups.GetCount(); j++) { in SieveBuilderVars() [all …]
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/lcao/ |
H A D | el_ph.py | 67 setups = self.calc.wfs.setups 72 for a, setup in enumerate(setups): 236 nao = wfs.setups.nao 322 nao = wfs.setups.nao 327 for a, setup in enumerate(wfs.setups): 335 for b, setup_b in enumerate(wfs.setups): 352 nao = wfs.setups.nao 357 setups = wfs.setups 358 pt = LFC(wfs.gd, [setup.pt_j for setup in setups], 377 nao = wfs.setups.nao [all …]
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H A D | tci.py | 89 def new_from_setups(cls, setups): argument 91 setups_I = list(setups.setups.values()) 94 I_a = [I_setup[setup] for setup in setups] 103 def get_manytci_calculator(self, setups, gd, spos_ac, ibzk_qc, dtype, argument 105 return ManyTCICalculator(self, setups, gd, spos_ac, ibzk_qc, dtype, 230 def __init__(self, tciexpansions, setups, gd, spos_ac, ibzk_qc, dtype, argument 236 self.setups = setups 238 self.Pindices = setups.projector_indices() 239 self.Mindices = setups.basis_indices() 240 self.natoms = len(setups) [all …]
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/ofdft/ |
H A D | test_ofdft.py | 21 setups = {} 25 setups[symbol] = s 39 setups=setups,
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H A D | test_ofdft_scale.py | 22 setups = {} 26 setups[symbol] = g 37 setups=setups,
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/wavefunctions/ |
H A D | fdpw.py | 44 for a in range(len(wfs.setups)): 45 setup = wfs.setups[a] 129 manytci = tciex.get_manytci_calculator(wfs.setups, wfs.gd, 157 opsit.add(wfs.pt, wfs.setups.dS.apply(kpt.projections)) 251 def set_setups(self, setups): argument 252 WaveFunctions.set_setups(self, setups) 339 self.setups, lcaobd, self.dtype, 408 self.setups.dS.apply(P, out=P2) 445 dO_ii = self.setups[a].dO_ii 466 dO_ii = self.setups[a].dO_ii [all …]
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H A D | lcao.py | 60 M1 = setups.M_a[a] - Mstart 61 M2 = M1 + setups[a].nao 132 nao = self.setups.nao 162 nao = self.setups.nao 194 ni = self.setups[a].ni 654 ni = self.setups[a].ni 688 nm1 = self.setups[a1].nao 689 nm2 = self.setups[a2].nao 744 nm1 = self.setups[a1].nao 857 setup = self.setups[b] [all …]
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/wannier/ |
H A D | overlaps.py | 81 setups: List[Setup]) -> List[List[int]]: 94 for a, setup in enumerate(setups): 123 calc.setups) 145 setups = calc.wfs.setups 166 dO_ii = setups[a].dO_ii 239 setups: List[Setup], 244 kd, setups, spos_ac, bz_index) 307 setups = calc.wfs.setups 335 wf1 = wf.transform(kd, gd, setups, spos_ac, bz_index)
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/xc/ |
H A D | test_lb94.py | 38 setups = {} 46 if world.rank == 0 and atom not in setups: 49 setups[atom] = 1 83 if world.rank == 0 and atom not in setups: 86 setups[atom] = 1
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/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/ext/sundials/examples/cvodes/serial/ |
H A D | cvsDirectDemo_ls.out | 25 Number of setups = 0 51 Number of setups = 46 82 Number of setups = 34 113 Number of setups = 40 143 Number of setups = 0 169 Number of setups = 40 200 Number of setups = 40 231 Number of setups = 39 273 Number of setups = 0 300 Number of setups = 33 [all …]
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