/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/io/tests/ |
H A D | test_nwchem.py | 403 self.assertEqual(0, nwo[0]["charge"]) 404 self.assertEqual(-1, nwo[-1]["charge"]) 405 self.assertEqual(len(nwo), 5) 433 ie = nwo[4]["energies"][-1] - nwo[2]["energies"][-1] 434 ea = nwo[2]["energies"][-1] - nwo[3]["energies"][-1] 440 self.assertTrue(nwo[-1]["has_error"]) 444 self.assertTrue(nwo[-1]["has_error"]) 448 self.assertTrue(nwo[-1]["has_error"]) 452 self.assertTrue(nwo[-1]["has_error"]) 465 roots = nwo.parse_tddft() [all …]
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/dports/devel/github-backup-utils/github-backup-utils-v3.1.0/share/github-backup-utils/ |
H A D | ghe-backup-fsck | 52 nwo="-" 53 if [ "$2" = "--print-nwo" ] && [ -f info/nwo ]; then 54 nwo="$(cat info/nwo)" 59 echo "OK $repo $nwo"; exit 63 echo "WARN $repo $nwo (alternates absolute path)"; exit 67 echo "ERROR $repo $nwo"
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/dports/devel/gh/cli-2.4.0/internal/ghrepo/ |
H A D | repo.go | 55 func FromFullName(nwo string) (Interface, error) { 56 return FromFullNameWithHost(nwo, defaultHost()) 61 func FromFullNameWithHost(nwo, fallbackHost string) (Interface, error) { argument 62 if git.IsURL(nwo) { 63 u, err := git.ParseURL(nwo) 70 parts := strings.SplitN(nwo, "/", 4) 73 return nil, fmt.Errorf(`expected the "[HOST/]OWNER/REPO" format, got %q`, nwo) 82 return nil, fmt.Errorf(`expected the "[HOST/]OWNER/REPO" format, got %q`, nwo)
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/dports/sysutils/docker/docker-ce-18.09.5/components/cli/cli/command/service/ |
H A D | opts_test.go | 150 nwo := opts.NetworkOpt{} 151 nwo.Set("zzz-network") 152 nwo.Set("mmm-network") 153 nwo.Set("aaa-network") 157 o.networks = nwo
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/dports/www/grafana8/grafana-8.3.6/vendor/golang.org/x/exp/shiny/widget/ |
H A D | widget.go | 70 nwo *screen.NewWindowOptions 74 nwo = &opts.NewWindowOptions 77 w, err := s.NewWindow(nwo)
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/dports/net-mgmt/thanos/thanos-0.11.0/vendor/golang.org/x/exp/shiny/widget/ |
H A D | widget.go | 70 nwo *screen.NewWindowOptions 74 nwo = &opts.NewWindowOptions 77 w, err := s.NewWindow(nwo)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/rt_tddft_restart/ |
H A D | na2.nw | 17 ## (a) na1.nw => na1.nwo => z1.dat 18 ## (b) na2.nw => na2.nwo => z2.dat 21 ## Practically you would likely keep the old .nwo file
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H A D | na1.nw | 17 ## (a) na1.nw => na1.nwo => z1.dat 18 ## (b) na2.nw => na2.nwo => z2.dat 21 ## Practically you would likely keep the old .nwo file
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/rt_tddft_restart/ |
H A D | na1.nw | 17 ## (a) na1.nw => na1.nwo => z1.dat 18 ## (b) na2.nw => na2.nwo => z2.dat 21 ## Practically you would likely keep the old .nwo file
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H A D | na2.nw | 17 ## (a) na1.nw => na1.nwo => z1.dat 18 ## (b) na2.nw => na2.nwo => z2.dat 21 ## Practically you would likely keep the old .nwo file
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/ |
H A D | argos_cafe_pardif.F | 3 + mwh,nwh,nhp,angw,mwd,nwd,ndp,dihw,mwo,nwo,nop,oopw, argument 13 integer nwb,nwh,nwd,nwo local
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H A D | argos_prepare_topsiz.F | 13 integer nwb,nwh,nwd,nwo,nwt,nwn,nsb,nsh,nsd,nso,nst,nsx 46 read(lfntop,1002) nwa,nwb,nwh,nwd,nwo,nwt,nwn
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H A D | argos_prep_topsiz.F | 13 integer nwb,nwh,nwd,nwo,nwt,nwn,nsb,nsh,nsd,nso,nst,nsx 46 read(lfntop,1002) nwa,nwb,nwh,nwd,nwo,nwt,nwn
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H A D | argos_prepare_toprd.F | 20 integer natl,nwb,nwh,nwd,nwo,nwt,nwn,nsh,nsd,nso,nst,nsx 64 read(lfntop,1003) nwa,nwb,nwh,nwd,nwo,nwt,nwn 85 do 11 i=1,nwo*(npar+1)
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/ |
H A D | argos_cafe_pardif.F | 3 + mwh,nwh,nhp,angw,mwd,nwd,ndp,dihw,mwo,nwo,nop,oopw, 13 integer nwb,nwh,nwd,nwo
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H A D | argos_prep_topsiz.F | 13 integer nwb,nwh,nwd,nwo,nwt,nwn,nsb,nsh,nsd,nso,nst,nsx 46 read(lfntop,1002) nwa,nwb,nwh,nwd,nwo,nwt,nwn
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H A D | argos_prepare_topsiz.F | 13 integer nwb,nwh,nwd,nwo,nwt,nwn,nsb,nsh,nsd,nso,nst,nsx 46 read(lfntop,1002) nwa,nwb,nwh,nwd,nwo,nwt,nwn
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H A D | argos_prep_toprd.F | 20 integer natl,nwb,nwh,nwd,nwo,nwt,nwn,nsh,nsd,nso,nst,nsx 64 read(lfntop,1003) nwa,nwb,nwh,nwd,nwo,nwt,nwn 85 do 11 i=1,nwo*(npar+1)
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H A D | argos_prepare_toprd.F | 20 integer natl,nwb,nwh,nwd,nwo,nwt,nwn,nsh,nsd,nso,nst,nsx 64 read(lfntop,1003) nwa,nwb,nwh,nwd,nwo,nwt,nwn 85 do 11 i=1,nwo*(npar+1)
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/dports/devel/gitlab-runner/gitlab-runner-8925d9a06fd8e452e2161a768462652a2a13111f/vendor/github.com/docker/cli/cli-20.10.2/cli/command/service/ |
H A D | opts_test.go | 204 nwo := opts.NetworkOpt{} 205 assert.NilError(t, nwo.Set("zzz-network")) 206 assert.NilError(t, nwo.Set("mmm-network")) 207 assert.NilError(t, nwo.Set("aaa-network")) 211 o.networks = nwo
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/dports/sysutils/helm/helm-3.5.2/vendor/github.com/docker/cli/cli/command/service/ |
H A D | opts_test.go | 204 nwo := opts.NetworkOpt{} 205 assert.NilError(t, nwo.Set("zzz-network")) 206 assert.NilError(t, nwo.Set("mmm-network")) 207 assert.NilError(t, nwo.Set("aaa-network")) 211 o.networks = nwo
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/prepar/ |
H A D | pre_topsiz.F | 13 integer nwb,nwh,nwd,nwo,nwt,nwn,nsb,nsh,nsd,nso,nst,nsx 46 read(lfntop,1002) nwa,nwb,nwh,nwd,nwo,nwt,nwn
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H A D | pre_toprd.F | 20 integer natl,nwb,nwh,nwd,nwo,nwt,nwn,nsh,nsd,nso,nst,nsx 64 read(lfntop,1003) nwa,nwb,nwh,nwd,nwo,nwt,nwn 85 do 11 i=1,nwo*(npar+1)
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/prepar/ |
H A D | pre_topsiz.F | 13 integer nwb,nwh,nwd,nwo,nwt,nwn,nsb,nsh,nsd,nso,nst,nsx 46 read(lfntop,1002) nwa,nwb,nwh,nwd,nwo,nwt,nwn
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H A D | pre_toprd.F | 20 integer natl,nwb,nwh,nwd,nwo,nwt,nwn,nsh,nsd,nso,nst,nsx 64 read(lfntop,1003) nwa,nwb,nwh,nwd,nwo,nwt,nwn 85 do 11 i=1,nwo*(npar+1)
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