| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_tddft_1ar/ |
| H A D | nwxc_tddft_1ar.nw | 48 tddft
60 task tddft energy
68 #task tddft energy
74 task tddft energy
80 task tddft energy
86 task tddft energy
122 task tddft energy
134 task tddft energy
154 task tddft energy
162 task tddft energy
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_tddft_1he/ |
| H A D | nwxc_tddft_1he.nw | 26 tddft
38 task tddft energy
46 #task tddft energy
52 task tddft energy
58 task tddft energy
64 task tddft energy
70 #task tddft energy
76 #task tddft energy
100 task tddft energy
112 task tddft energy
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_tddft_1ne/ |
| H A D | nwxc_tddft_1ne.nw | 40 tddft
52 task tddft energy
60 #task tddft energy
66 task tddft energy
72 task tddft energy
78 task tddft energy
84 #task tddft energy
114 task tddft energy
126 task tddft energy
146 task tddft energy
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_tddft_1xe/ |
| H A D | nwxc_tddft_1xe.nw | 75 tddft
87 task tddft energy
101 task tddft energy
107 task tddft energy
113 task tddft energy
149 task tddft energy
161 task tddft energy
181 task tddft energy
189 task tddft energy
197 task tddft energy
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_tddft_1ar/ |
| H A D | nwxc_tddft_1ar.nw | 48 tddft
60 task tddft energy
68 #task tddft energy
74 task tddft energy
80 task tddft energy
86 task tddft energy
122 task tddft energy
134 task tddft energy
154 task tddft energy
162 task tddft energy
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_tddft_1kr/ |
| H A D | nwxc_tddft_1kr.nw | 61 tddft
73 task tddft energy
81 #task tddft energy
87 task tddft energy
93 task tddft energy
99 task tddft energy
135 task tddft energy
147 task tddft energy
167 task tddft energy
175 task tddft energy
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_tddft_1xe/ |
| H A D | nwxc_tddft_1xe.nw | 75 tddft
87 task tddft energy
101 task tddft energy
107 task tddft energy
113 task tddft energy
149 task tddft energy
161 task tddft energy
181 task tddft energy
189 task tddft energy
197 task tddft energy
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_tddft_1ne/ |
| H A D | nwxc_tddft_1ne.nw | 40 tddft
52 task tddft energy
60 #task tddft energy
66 task tddft energy
72 task tddft energy
78 task tddft energy
84 #task tddft energy
114 task tddft energy
126 task tddft energy
146 task tddft energy
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_tddft_1he/ |
| H A D | nwxc_tddft_1he.nw | 26 tddft
38 task tddft energy
46 #task tddft energy
52 task tddft energy
58 task tddft energy
64 task tddft energy
70 #task tddft energy
76 #task tddft energy
100 task tddft energy
112 task tddft energy
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_tddft_1kr/ |
| H A D | nwxc_tddft_1kr.nw | 61 tddft
73 task tddft energy
81 #task tddft energy
87 task tddft energy
93 task tddft energy
99 task tddft energy
135 task tddft energy
147 task tddft energy
167 task tddft energy
175 task tddft energy
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_ad_tddft_1ar/ |
| H A D | nwxc_ad_tddft_1ar.nw | 48 tddft
60 task tddft energy
68 #task tddft energy
74 task tddft energy
80 task tddft energy
86 task tddft energy
92 #task tddft energy
122 task tddft energy
134 task tddft energy
155 task tddft energy
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_ad_tddft_1kr/ |
| H A D | nwxc_ad_tddft_1kr.nw | 61 tddft
73 task tddft energy
81 #task tddft energy
87 task tddft energy
93 task tddft energy
99 task tddft energy
135 task tddft energy
147 task tddft energy
168 task tddft energy
177 task tddft energy
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_ad_tddft_1ne/ |
| H A D | nwxc_ad_tddft_1ne.nw | 40 tddft
52 task tddft energy
60 #task tddft energy
66 task tddft energy
72 task tddft energy
78 task tddft energy
84 #task tddft energy
114 task tddft energy
126 task tddft energy
147 task tddft energy
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_tddft_4as/ |
| H A D | nwxc_tddft_4as.nw | 61 tddft
74 task tddft energy
84 #task tddft energy
92 task tddft energy
100 task tddft energy
108 task tddft energy
156 task tddft energy
172 task tddft energy
198 task tddft energy
208 task tddft energy
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_tddft_4n/ |
| H A D | nwxc_tddft_4n.nw | 40 tddft
53 task tddft energy
63 #task tddft energy
71 task tddft energy
79 task tddft energy
87 task tddft energy
95 #task tddft energy
135 task tddft energy
151 task tddft energy
177 task tddft energy
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_tddft_4p/ |
| H A D | nwxc_tddft_4p.nw | 48 tddft
61 task tddft energy
71 #task tddft energy
79 task tddft energy
87 task tddft energy
95 task tddft energy
103 #task tddft energy
143 task tddft energy
159 task tddft energy
185 task tddft energy
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_tddft_4as/ |
| H A D | nwxc_tddft_4as.nw | 61 tddft
74 task tddft energy
84 #task tddft energy
92 task tddft energy
100 task tddft energy
108 task tddft energy
156 task tddft energy
172 task tddft energy
198 task tddft energy
208 task tddft energy
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_tddft_4n/ |
| H A D | nwxc_tddft_4n.nw | 40 tddft
53 task tddft energy
63 #task tddft energy
71 task tddft energy
79 task tddft energy
87 task tddft energy
95 #task tddft energy
135 task tddft energy
151 task tddft energy
177 task tddft energy
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_ad_tddft_1ne/ |
| H A D | nwxc_ad_tddft_1ne.nw | 40 tddft
52 task tddft energy
60 #task tddft energy
66 task tddft energy
72 task tddft energy
78 task tddft energy
84 #task tddft energy
114 task tddft energy
126 task tddft energy
147 task tddft energy
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_ad_tddft_1ar/ |
| H A D | nwxc_ad_tddft_1ar.nw | 48 tddft
60 task tddft energy
68 #task tddft energy
74 task tddft energy
80 task tddft energy
86 task tddft energy
92 #task tddft energy
122 task tddft energy
134 task tddft energy
155 task tddft energy
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_ad_tddft_1he/ |
| H A D | nwxc_ad_tddft_1he.nw | 26 tddft
38 task tddft energy
46 #task tddft energy
52 task tddft energy
58 task tddft energy
64 task tddft energy
70 #task tddft energy
76 #task tddft energy
100 task tddft energy
112 task tddft energy
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_ad_tddft_1kr/ |
| H A D | nwxc_ad_tddft_1kr.nw | 61 tddft
73 task tddft energy
81 #task tddft energy
87 task tddft energy
93 task tddft energy
99 task tddft energy
135 task tddft energy
147 task tddft energy
168 task tddft energy
177 task tddft energy
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_mx_tddft_1ar/ |
| H A D | nwxc_mx_tddft_1ar.nw | 48 tddft
60 task tddft energy
68 #task tddft energy
74 task tddft energy
80 task tddft energy
86 task tddft energy
92 #task tddft energy
122 task tddft energy
134 task tddft energy
155 task tddft energy
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_mx_tddft_1he/ |
| H A D | nwxc_mx_tddft_1he.nw | 26 tddft
38 task tddft energy
46 #task tddft energy
52 task tddft energy
58 task tddft energy
64 task tddft energy
70 #task tddft energy
76 #task tddft energy
100 task tddft energy
112 task tddft energy
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_mx_tddft_1ne/ |
| H A D | nwxc_mx_tddft_1ne.nw | 40 tddft
52 task tddft energy
60 #task tddft energy
66 task tddft energy
72 task tddft energy
78 task tddft energy
84 #task tddft energy
114 task tddft energy
126 task tddft energy
147 task tddft energy
[all …]
|