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/dports/science/py-ase/ase-3.22.0/ase/test/calculator/vasp/
H A Dtest_vasp_setup.py7 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')),
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/
H A Ddensity.py25 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 …]
H A Dpair_overlap.py13 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 …]
H A Doverlap.py15 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)
H A Dzero_field_splitting.py57 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)
H A Dpair_density.py21 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):
/dports/net-mgmt/promscale/promscale-0.6.2/vendor/github.com/thanos-io/thanos/pkg/extkingpin/
H A Dapp.go84 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
/dports/www/chromium-legacy/chromium-88.0.4324.182/native_client/buildbot/
H A Dbuildbot_spec2k.sh100 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 "${setups}" all 1 3
429 local setups="SetupNaclX8664 \
[all …]
/dports/devel/automake/automake-1.16.5/
H A Dgen-testsuite-part273 my @setups = ('');
280 @setups = map { ($_, "$_\n$x->{shell_setup_code}") } @setups;
282 @setups = grep { $_ ne '' } @setups;
283 $wrapper_setups{$test} = \@setups if @setups;
/dports/net-mgmt/promscale/promscale-0.6.2/.github/workflows/
H A Dgo.yml108 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 …]
/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/ext/sundials/examples/cvode/serial/
H A DcvPendulum_dns.out4 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…
H A DcvDirectDemo_ls.out25 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 …]
/dports/net/waypipe/waypipe-a11a59c58bee3972ce9e1e18731eba28cc0a8f0a/test/
H A Dbuild_matrix.py13 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:
/dports/math/sundials/sundials-5.7.0/examples/cvode/serial/
H A DcvPendulum_dns.out4 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…
H A DcvDirectDemo_ls.out25 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 …]
/dports/devel/upp/upp/uppsrc/ide/
H A DMethods.cpp501 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 …]
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/lcao/
H A Del_ph.py67 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 …]
H A Dtci.py89 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 …]
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/ofdft/
H A Dtest_ofdft.py21 setups = {}
25 setups[symbol] = s
39 setups=setups,
H A Dtest_ofdft_scale.py22 setups = {}
26 setups[symbol] = g
37 setups=setups,
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/wavefunctions/
H A Dfdpw.py44 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 …]
H A Dlcao.py60 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 …]
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/wannier/
H A Doverlaps.py81 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)
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/xc/
H A Dtest_lb94.py38 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
/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/ext/sundials/examples/cvodes/serial/
H A DcvsDirectDemo_ls.out25 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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