| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/geom_load_pdb/ |
| H A D | h2o.nw | 8 geometry noautosym noautoz nocenter
18 geometry noautosym noautoz nocenter
29 geometry noautosym noautoz nocenter
40 geometry noautosym noautoz nocenter
49 geometry noautosym noautoz nocenter
58 geometry noautosym noautoz nocenter
67 geometry noautosym noautoz nocenter
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/geom_load_pdb/ |
| H A D | h2o.nw | 8 geometry noautosym noautoz nocenter
18 geometry noautosym noautoz nocenter
29 geometry noautosym noautoz nocenter
40 geometry noautosym noautoz nocenter
49 geometry noautosym noautoz nocenter
58 geometry noautosym noautoz nocenter
67 geometry noautosym noautoz nocenter
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/geom_load_xyz/ |
| H A D | geom_load_xyz.nw | 8 geometry noautosym noautoz nocenter
18 geometry noautosym noautoz nocenter
31 geometry noautosym noautoz nocenter
44 geometry noautosym noautoz nocenter
57 geometry noautosym noautoz nocenter
70 geometry noautosym noautoz nocenter
82 geometry noautosym noautoz nocenter
94 geometry noautosym noautoz nocenter
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/geom_load_xyz/ |
| H A D | geom_load_xyz.nw | 8 geometry noautosym noautoz nocenter
18 geometry noautosym noautoz nocenter
31 geometry noautosym noautoz nocenter
44 geometry noautosym noautoz nocenter
57 geometry noautosym noautoz nocenter
70 geometry noautosym noautoz nocenter
82 geometry noautosym noautoz nocenter
94 geometry noautosym noautoz nocenter
|
| /dports/misc/elki/elki-release0.7.1-1166-gfb1fffdf3/elki-core/src/main/java/de/lmu/ifi/dbs/elki/utilities/referencepoints/ |
| H A D | StarBasedReferencePoints.java | 48 protected boolean nocenter; field in StarBasedReferencePoints
61 public StarBasedReferencePoints(boolean nocenter, double scale) { in StarBasedReferencePoints() argument
63 this.nocenter = nocenter; in StarBasedReferencePoints()
97 if(!nocenter) { in getReferencePoints()
133 protected boolean nocenter; field in StarBasedReferencePoints.Parameterizer
145 nocenter = nocenterF.getValue(); in makeOptions()
157 return new StarBasedReferencePoints(nocenter, scale); in makeInstance()
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/ch4_zts/ |
| H A D | ch4_zts.nw | 11 geometry geometry nocenter
20 geometry endgeom nocenter
48 geometry geometry nocenter
57 geometry endgeom nocenter
66 geometry midgeom nocenter
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/ch4_zts/ |
| H A D | ch4_zts.nw | 11 geometry geometry nocenter
20 geometry endgeom nocenter
48 geometry geometry nocenter
57 geometry endgeom nocenter
66 geometry midgeom nocenter
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/h2o_zts/ |
| H A D | h2o_zts.nw | 4 geometry geometry nocenter
11 geometry endgeom nocenter
18 geometry midgeom nocenter
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/h2o_zts/ |
| H A D | h2o_zts.nw | 4 geometry geometry nocenter
11 geometry endgeom nocenter
18 geometry midgeom nocenter
|
| /dports/graphics/netpbm/netpbm-10.91.01/test/ |
| H A D | ps-roundtrip.test | 19 pnmtops -nocenter -equalpixels -dpi 72 -noturn ${flag} testimg.ppm \
45 pnmtops -nocenter -equalpixels -dpi 72 -noturn ${flag} ${t_pbm} \
72 pnmtops -nocenter -equalpixels -dpi 72 -noturn -setpage ${flag} \
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/fe2-broken-symm/ |
| H A D | fe2-broken-symm.nw | 9 geometry Fe1Fe2 units angstrom noautoz nocenter noautosym
14 geometry Fe1 units angstrom noautoz nocenter
18 geometry Fe2 units angstron noautoz nocenter
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/fe2-broken-symm/ |
| H A D | fe2-broken-symm.nw | 9 geometry Fe1Fe2 units angstrom noautoz nocenter noautosym
14 geometry Fe1 units angstrom noautoz nocenter
18 geometry Fe2 units angstron noautoz nocenter
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/h2o_hcons/ |
| H A D | h2o_hcons.nw | 10 geometry noautoz noautosym nocenter units au
50 geometry noautoz noautosym nocenter units au
73 geometry noautoz noautosym nocenter units au
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/h2o_hcons/ |
| H A D | h2o_hcons.nw | 10 geometry noautoz noautosym nocenter units au
50 geometry noautoz noautosym nocenter units au
73 geometry noautoz noautosym nocenter units au
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/contrib/fde/freeze_thaw_example/ |
| H A D | dimer.nw | 3 geometry print nocenter noautoz dimer
12 geometry print nocenter noautoz h2o1
18 geometry print nocenter noautoz h2o2
|
| H A D | h2o2.nw | 3 geometry print nocenter noautoz dimer
12 geometry print nocenter noautoz h2o1
18 geometry print nocenter noautoz h2o2
|
| H A D | first.nw | 3 geometry print nocenter noautoz dimer
12 geometry print nocenter noautoz h2o1
18 geometry print nocenter noautoz h2o2
|
| H A D | h2o1.nw | 3 geometry print nocenter noautoz dimer
12 geometry print nocenter noautoz h2o1
18 geometry print nocenter noautoz h2o2
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/contrib/fde/freeze_thaw_example/ |
| H A D | h2o2.nw | 3 geometry print nocenter noautoz dimer
12 geometry print nocenter noautoz h2o1
18 geometry print nocenter noautoz h2o2
|
| H A D | dimer.nw | 3 geometry print nocenter noautoz dimer
12 geometry print nocenter noautoz h2o1
18 geometry print nocenter noautoz h2o2
|
| H A D | h2o1.nw | 3 geometry print nocenter noautoz dimer
12 geometry print nocenter noautoz h2o1
18 geometry print nocenter noautoz h2o2
|
| H A D | first.nw | 3 geometry print nocenter noautoz dimer
12 geometry print nocenter noautoz h2o1
18 geometry print nocenter noautoz h2o2
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/vectors_rotate/ |
| H A D | vectors_rotate.nw | 7 geometry test1 noautosym noautoz nocenter
13 geometry test2 noautosym noautoz nocenter
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/vectors_rotate/ |
| H A D | vectors_rotate.nw | 7 geometry test1 noautosym noautoz nocenter
13 geometry test2 noautosym noautoz nocenter
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/ch4cl_zts/ |
| H A D | ch4cl_zts.nw | 6 geometry geometry nocenter
16 geometry endgeom nocenter
|