/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_tddft_1ar/ |
H A D | nwxc_tddft_1ar.nw | 12 end 46 end 51 end 59 end 67 #end 73 end 79 end 85 end 121 end 133 end [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_tddft_1he/ |
H A D | nwxc_tddft_1he.nw | 8 end 24 end 29 end 37 end 45 #end 51 end 57 end 63 end 69 #end 99 end [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_tddft_1ne/ |
H A D | nwxc_tddft_1ne.nw | 12 end 38 end 43 end 51 end 59 #end 65 end 71 end 77 end 113 end 125 end [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_tddft_1xe/ |
H A D | nwxc_tddft_1xe.nw | 12 end 73 end 78 end 86 end 100 end 106 end 112 end 148 end 160 end 180 end [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_tddft_1ar/ |
H A D | nwxc_tddft_1ar.nw | 12 end 46 end 51 end 59 end 67 #end 73 end 79 end 85 end 121 end 133 end [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_tddft_1kr/ |
H A D | nwxc_tddft_1kr.nw | 12 end 59 end 64 end 72 end 86 end 92 end 98 end 134 end 146 end 166 end [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_tddft_1xe/ |
H A D | nwxc_tddft_1xe.nw | 12 end 73 end 78 end 86 end 100 end 106 end 112 end 148 end 160 end 180 end [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_tddft_1ne/ |
H A D | nwxc_tddft_1ne.nw | 12 end 38 end 43 end 51 end 59 #end 65 end 71 end 77 end 113 end 125 end [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_tddft_1he/ |
H A D | nwxc_tddft_1he.nw | 8 end 24 end 29 end 37 end 45 #end 51 end 57 end 63 end 69 #end 99 end [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_tddft_1kr/ |
H A D | nwxc_tddft_1kr.nw | 12 end 59 end 64 end 72 end 86 end 92 end 98 end 134 end 146 end 166 end [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_nwdft_1he/ |
H A D | nwxc_nwdft_1he.nw | 7 end 23 end 31 end 39 end 45 end 51 end 57 end 93 end 99 end 105 end [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_nwdft_1he/ |
H A D | nwxc_nwdft_1he.nw | 7 end 23 end 31 end 39 end 45 end 51 end 57 end 93 end 99 end 105 end [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_nwdft_1ne/ |
H A D | nwxc_nwdft_1ne.nw | 7 end 33 end 42 end 50 end 56 end 62 end 68 end 104 end 110 end 116 end [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_nwdft_1xe/ |
H A D | nwxc_nwdft_1xe.nw | 7 end 67 end 76 end 84 end 90 end 96 end 102 end 138 end 144 end 150 end [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_nwdft_1ar/ |
H A D | nwxc_nwdft_1ar.nw | 7 end 41 end 50 end 58 end 64 end 70 end 76 end 112 end 118 end 124 end [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_nwdft_1kr/ |
H A D | nwxc_nwdft_1kr.nw | 7 end 54 end 63 end 71 end 77 end 83 end 89 end 125 end 131 end 137 end [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_nwdft_1ar/ |
H A D | nwxc_nwdft_1ar.nw | 7 end 41 end 50 end 58 end 64 end 70 end 76 end 112 end 118 end 124 end [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_nwdft_1kr/ |
H A D | nwxc_nwdft_1kr.nw | 7 end 54 end 63 end 71 end 77 end 83 end 89 end 125 end 131 end 137 end [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_nwdft_1ne/ |
H A D | nwxc_nwdft_1ne.nw | 7 end 33 end 42 end 50 end 56 end 62 end 68 end 104 end 110 end 116 end [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_nwdft_1xe/ |
H A D | nwxc_nwdft_1xe.nw | 7 end 67 end 76 end 84 end 90 end 96 end 102 end 138 end 144 end 150 end [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_ad_tddft_1ar/ |
H A D | nwxc_ad_tddft_1ar.nw | 12 end 46 end 51 end 59 end 67 #end 73 end 79 end 85 end 121 end 133 end [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_ad_tddft_1kr/ |
H A D | nwxc_ad_tddft_1kr.nw | 12 end 59 end 64 end 72 end 86 end 92 end 98 end 134 end 146 end 167 end [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_ad_tddft_1ne/ |
H A D | nwxc_ad_tddft_1ne.nw | 12 end 38 end 43 end 51 end 59 #end 65 end 71 end 77 end 113 end 125 end [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_tddft_4as/ |
H A D | nwxc_tddft_4as.nw | 12 end 59 end 64 end 73 end 91 end 99 end 107 end 155 end 171 end 197 end [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_tddft_4n/ |
H A D | nwxc_tddft_4n.nw | 12 end 38 end 43 end 52 end 62 #end 70 end 78 end 86 end 134 end 150 end [all …]
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