| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_pspw_new_1kr/ |
| H A D | nwxc_pspw_new_1kr.nw | 20 boundary_conditions aperiodic
33 boundary_conditions aperiodic
44 boundary_conditions aperiodic
55 boundary_conditions aperiodic
66 # boundary_conditions aperiodic
77 boundary_conditions aperiodic
90 boundary_conditions aperiodic
101 boundary_conditions aperiodic
112 boundary_conditions aperiodic
123 boundary_conditions aperiodic
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_pspw_new_1ne/ |
| H A D | nwxc_pspw_new_1ne.nw | 20 boundary_conditions aperiodic
33 boundary_conditions aperiodic
44 boundary_conditions aperiodic
55 boundary_conditions aperiodic
66 # boundary_conditions aperiodic
77 boundary_conditions aperiodic
90 boundary_conditions aperiodic
101 boundary_conditions aperiodic
112 boundary_conditions aperiodic
123 boundary_conditions aperiodic
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_pspw_new_1kr/ |
| H A D | nwxc_pspw_new_1kr.nw | 20 boundary_conditions aperiodic
33 boundary_conditions aperiodic
44 boundary_conditions aperiodic
55 boundary_conditions aperiodic
66 # boundary_conditions aperiodic
77 boundary_conditions aperiodic
90 boundary_conditions aperiodic
101 boundary_conditions aperiodic
112 boundary_conditions aperiodic
123 boundary_conditions aperiodic
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_pspw_new_1ne/ |
| H A D | nwxc_pspw_new_1ne.nw | 20 boundary_conditions aperiodic
33 boundary_conditions aperiodic
44 boundary_conditions aperiodic
55 boundary_conditions aperiodic
66 # boundary_conditions aperiodic
77 boundary_conditions aperiodic
90 boundary_conditions aperiodic
101 boundary_conditions aperiodic
112 boundary_conditions aperiodic
123 boundary_conditions aperiodic
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_pspw_new_1he/ |
| H A D | nwxc_pspw_new_1he.nw | 20 boundary_conditions aperiodic
33 boundary_conditions aperiodic
44 boundary_conditions aperiodic
55 boundary_conditions aperiodic
66 # boundary_conditions aperiodic
77 boundary_conditions aperiodic
90 boundary_conditions aperiodic
101 boundary_conditions aperiodic
112 boundary_conditions aperiodic
123 boundary_conditions aperiodic
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_pspw_new_1ar/ |
| H A D | nwxc_pspw_new_1ar.nw | 20 boundary_conditions aperiodic
33 boundary_conditions aperiodic
44 boundary_conditions aperiodic
55 boundary_conditions aperiodic
66 # boundary_conditions aperiodic
77 boundary_conditions aperiodic
90 boundary_conditions aperiodic
101 boundary_conditions aperiodic
112 boundary_conditions aperiodic
123 boundary_conditions aperiodic
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_pspw_new_1xe/ |
| H A D | nwxc_pspw_new_1xe.nw | 20 boundary_conditions aperiodic
33 boundary_conditions aperiodic
44 boundary_conditions aperiodic
55 boundary_conditions aperiodic
66 # boundary_conditions aperiodic
77 boundary_conditions aperiodic
90 boundary_conditions aperiodic
101 boundary_conditions aperiodic
112 boundary_conditions aperiodic
123 boundary_conditions aperiodic
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_pspw_new_1xe/ |
| H A D | nwxc_pspw_new_1xe.nw | 20 boundary_conditions aperiodic
33 boundary_conditions aperiodic
44 boundary_conditions aperiodic
55 boundary_conditions aperiodic
66 # boundary_conditions aperiodic
77 boundary_conditions aperiodic
90 boundary_conditions aperiodic
101 boundary_conditions aperiodic
112 boundary_conditions aperiodic
123 boundary_conditions aperiodic
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_pspw_new_1ar/ |
| H A D | nwxc_pspw_new_1ar.nw | 20 boundary_conditions aperiodic
33 boundary_conditions aperiodic
44 boundary_conditions aperiodic
55 boundary_conditions aperiodic
66 # boundary_conditions aperiodic
77 boundary_conditions aperiodic
90 boundary_conditions aperiodic
101 boundary_conditions aperiodic
112 boundary_conditions aperiodic
123 boundary_conditions aperiodic
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_pspw_new_1he/ |
| H A D | nwxc_pspw_new_1he.nw | 20 boundary_conditions aperiodic
33 boundary_conditions aperiodic
44 boundary_conditions aperiodic
55 boundary_conditions aperiodic
66 # boundary_conditions aperiodic
77 boundary_conditions aperiodic
90 boundary_conditions aperiodic
101 boundary_conditions aperiodic
112 boundary_conditions aperiodic
123 boundary_conditions aperiodic
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_pspw_new_4n/ |
| H A D | nwxc_pspw_new_4n.nw | 21 boundary_conditions aperiodic
35 boundary_conditions aperiodic
47 boundary_conditions aperiodic
59 boundary_conditions aperiodic
71 # boundary_conditions aperiodic
83 boundary_conditions aperiodic
95 boundary_conditions aperiodic
107 boundary_conditions aperiodic
119 boundary_conditions aperiodic
131 boundary_conditions aperiodic
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_pspw_new_4sb/ |
| H A D | nwxc_pspw_new_4sb.nw | 21 boundary_conditions aperiodic
35 boundary_conditions aperiodic
47 boundary_conditions aperiodic
59 boundary_conditions aperiodic
71 # boundary_conditions aperiodic
83 boundary_conditions aperiodic
95 boundary_conditions aperiodic
107 boundary_conditions aperiodic
119 boundary_conditions aperiodic
131 boundary_conditions aperiodic
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_pspw_new_4as/ |
| H A D | nwxc_pspw_new_4as.nw | 21 boundary_conditions aperiodic
35 boundary_conditions aperiodic
47 boundary_conditions aperiodic
59 boundary_conditions aperiodic
71 # boundary_conditions aperiodic
83 boundary_conditions aperiodic
95 boundary_conditions aperiodic
107 boundary_conditions aperiodic
119 boundary_conditions aperiodic
131 boundary_conditions aperiodic
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_pspw_new_3he/ |
| H A D | nwxc_pspw_new_3he.nw | 21 boundary_conditions aperiodic
35 boundary_conditions aperiodic
47 boundary_conditions aperiodic
59 boundary_conditions aperiodic
71 # boundary_conditions aperiodic
83 boundary_conditions aperiodic
95 boundary_conditions aperiodic
107 boundary_conditions aperiodic
119 boundary_conditions aperiodic
131 boundary_conditions aperiodic
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_pspw_new_4p/ |
| H A D | nwxc_pspw_new_4p.nw | 21 boundary_conditions aperiodic
35 boundary_conditions aperiodic
47 boundary_conditions aperiodic
59 boundary_conditions aperiodic
71 # boundary_conditions aperiodic
83 boundary_conditions aperiodic
95 boundary_conditions aperiodic
107 boundary_conditions aperiodic
119 boundary_conditions aperiodic
131 boundary_conditions aperiodic
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_pspw_new_4sb/ |
| H A D | nwxc_pspw_new_4sb.nw | 21 boundary_conditions aperiodic
35 boundary_conditions aperiodic
47 boundary_conditions aperiodic
59 boundary_conditions aperiodic
71 # boundary_conditions aperiodic
83 boundary_conditions aperiodic
95 boundary_conditions aperiodic
107 boundary_conditions aperiodic
119 boundary_conditions aperiodic
131 boundary_conditions aperiodic
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_pspw_new_4n/ |
| H A D | nwxc_pspw_new_4n.nw | 21 boundary_conditions aperiodic
35 boundary_conditions aperiodic
47 boundary_conditions aperiodic
59 boundary_conditions aperiodic
71 # boundary_conditions aperiodic
83 boundary_conditions aperiodic
95 boundary_conditions aperiodic
107 boundary_conditions aperiodic
119 boundary_conditions aperiodic
131 boundary_conditions aperiodic
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_pspw_new_4as/ |
| H A D | nwxc_pspw_new_4as.nw | 21 boundary_conditions aperiodic
35 boundary_conditions aperiodic
47 boundary_conditions aperiodic
59 boundary_conditions aperiodic
71 # boundary_conditions aperiodic
83 boundary_conditions aperiodic
95 boundary_conditions aperiodic
107 boundary_conditions aperiodic
119 boundary_conditions aperiodic
131 boundary_conditions aperiodic
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_pspw_new_4p/ |
| H A D | nwxc_pspw_new_4p.nw | 21 boundary_conditions aperiodic
35 boundary_conditions aperiodic
47 boundary_conditions aperiodic
59 boundary_conditions aperiodic
71 # boundary_conditions aperiodic
83 boundary_conditions aperiodic
95 boundary_conditions aperiodic
107 boundary_conditions aperiodic
119 boundary_conditions aperiodic
131 boundary_conditions aperiodic
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_pspw_new_3he/ |
| H A D | nwxc_pspw_new_3he.nw | 21 boundary_conditions aperiodic
35 boundary_conditions aperiodic
47 boundary_conditions aperiodic
59 boundary_conditions aperiodic
71 # boundary_conditions aperiodic
83 boundary_conditions aperiodic
95 boundary_conditions aperiodic
107 boundary_conditions aperiodic
119 boundary_conditions aperiodic
131 boundary_conditions aperiodic
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_pspw_1kr/ |
| H A D | nwxc_pspw_1kr.nw | 20 boundary_conditions aperiodic
33 boundary_conditions aperiodic
44 boundary_conditions aperiodic
55 boundary_conditions aperiodic
66 # boundary_conditions aperiodic
77 boundary_conditions aperiodic
90 boundary_conditions aperiodic
101 boundary_conditions aperiodic
112 boundary_conditions aperiodic
123 boundary_conditions aperiodic
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_pspw_1xe/ |
| H A D | nwxc_pspw_1xe.nw | 20 boundary_conditions aperiodic
33 boundary_conditions aperiodic
44 boundary_conditions aperiodic
55 boundary_conditions aperiodic
66 # boundary_conditions aperiodic
77 boundary_conditions aperiodic
90 boundary_conditions aperiodic
101 boundary_conditions aperiodic
112 boundary_conditions aperiodic
123 boundary_conditions aperiodic
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_pspw_1he/ |
| H A D | nwxc_pspw_1he.nw | 20 boundary_conditions aperiodic
33 boundary_conditions aperiodic
44 boundary_conditions aperiodic
55 boundary_conditions aperiodic
66 # boundary_conditions aperiodic
77 boundary_conditions aperiodic
90 boundary_conditions aperiodic
101 boundary_conditions aperiodic
112 boundary_conditions aperiodic
123 boundary_conditions aperiodic
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_pspw_4as/ |
| H A D | nwxc_pspw_4as.nw | 21 boundary_conditions aperiodic
35 boundary_conditions aperiodic
47 boundary_conditions aperiodic
59 boundary_conditions aperiodic
71 # boundary_conditions aperiodic
83 boundary_conditions aperiodic
95 boundary_conditions aperiodic
107 boundary_conditions aperiodic
119 boundary_conditions aperiodic
131 boundary_conditions aperiodic
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_pspw_1ar/ |
| H A D | nwxc_pspw_1ar.nw | 20 boundary_conditions aperiodic
33 boundary_conditions aperiodic
44 boundary_conditions aperiodic
55 boundary_conditions aperiodic
66 # boundary_conditions aperiodic
77 boundary_conditions aperiodic
90 boundary_conditions aperiodic
101 boundary_conditions aperiodic
112 boundary_conditions aperiodic
123 boundary_conditions aperiodic
[all …]
|