| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/ch4cl_zts/ |
| H A D | ch4cl_zts.nw | 6 geometry geometry nocenter
16 geometry endgeom nocenter
|
| /dports/graphics/netpbm/netpbm-10.91.01/test/ |
| H A D | ps-flate-roundtrip.test | 25 pnmtops -nocenter -equalpixels -dpi 72 -noturn ${flag} testimg.ppm \
41 pnmtops -nocenter -equalpixels -dpi 72 -noturn -setpage ${flag} \
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/cosmo_h2o_bq/ |
| H A D | cosmo_h2o_bq.nw | 8 geometry "bq_end" nocenter noautosym noautoz
16 geometry "bq_mid" nocenter noautosym noautoz
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/dft_ch3_h2o_revm06/ |
| H A D | dft_ch3_h2o_revm06.nw | 6 geometry h2o noautosym nocenter
13 geometry ch3 noautosym nocenter
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/ch3f-lc-wpbe/ |
| H A D | ch3f-lc-wpbe.nw | 5 geometry notrans noautoz units angstrom nocenter
33 geometry trans noautoz units angstrom nocenter
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/ch3f-lc-wpbe/ |
| H A D | ch3f-lc-wpbe.nw | 5 geometry notrans noautoz units angstrom nocenter
33 geometry trans noautoz units angstrom nocenter
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/dft_ch3_h2o_revm06/ |
| H A D | dft_ch3_h2o_revm06.nw | 6 geometry h2o noautosym nocenter
13 geometry ch3 noautosym nocenter
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/o3-broken-symm/ |
| H A D | o3-broken-symm.nw | 8 geometry o3 noautoz nocenter
14 geometry o noautoz nocenter
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/o3-broken-symm/ |
| H A D | o3-broken-symm.nw | 8 geometry o3 noautoz nocenter
14 geometry o noautoz nocenter
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/ActnAcntrl_VEMExc_TDB3LYP/ |
| H A D | ActnAcntrl_VEMExc_TDB3LYP.nw | 6 geometry nocenter
53 geometry nocenter
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/ActnAcntrl_VEMExc_TDB3LYP/ |
| H A D | ActnAcntrl_VEMExc_TDB3LYP.nw | 6 geometry nocenter
53 geometry nocenter
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/paw/ |
| H A D | paw.nw | 10 geometry units au nocenter noautoz noautosym
66 geometry units au nocenter noautoz noautosym
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/cosmo_h2o_bq/ |
| H A D | cosmo_h2o_bq.nw | 8 geometry "bq_end" nocenter noautosym noautoz
16 geometry "bq_mid" nocenter noautosym noautoz
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/dntmc_h2o_nh3/ |
| H A D | dntmc_h2o_nh3.nw | 24 geometry geom1 units angstroms noautosym nocenter noprint
31 geometry geom2 units angstroms noautosym nocenter noprint
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/paw/ |
| H A D | paw.nw | 10 geometry units au nocenter noautoz noautosym
66 geometry units au nocenter noautoz noautosym
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/dntmc_h2o_nh3/ |
| H A D | dntmc_h2o_nh3.nw | 24 geometry geom1 units angstroms noautosym nocenter noprint
31 geometry geom2 units angstroms noautosym nocenter noprint
|
| /dports/shells/zsh/zsh-5.8.1/Completion/X/Command/ |
| H A D | _gv | 9 '(--nocenter)--center' \
10 '(--center)--nocenter' \
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/h2o2_fde/ |
| H A D | h2o2_fde.nw | 3 geometry print nocenter noautoz dimer
12 geometry print nocenter noautoz h2o1
18 geometry print nocenter noautoz h2o2
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/h2o2_fde/ |
| H A D | h2o2_fde.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/rt_tddft_dimer_charge/ |
| H A D | rt_tddft_dimer_charge.nw | 41 geometry "bottom" units angstroms nocenter noautoz noautosym
46 geometry "top" units angstroms nocenter noautoz noautosym
51 geometry "dimer" units angstroms nocenter noautoz noautosym
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/rt_tddft_dimer_charge/ |
| H A D | rt_tddft_dimer_charge.nw | 41 geometry "bottom" units angstroms nocenter noautoz noautosym
46 geometry "top" units angstroms nocenter noautoz noautosym
51 geometry "dimer" units angstroms nocenter noautoz noautosym
|
| /dports/math/R-cran-recipes/recipes/inst/doc/ |
| H A D | Roles.Rmd | 86 …the following recipe, by adding the role `"nocenter"` to the `HHV` predictor, you can use `-has_ro…
90 add_role(HHV, new_role = "nocenter") %>%
91 step_center(all_predictors(), -has_role("nocenter")) %>%
|
| /dports/math/R-cran-recipes/recipes/vignettes/ |
| H A D | Roles.Rmd | 86 …the following recipe, by adding the role `"nocenter"` to the `HHV` predictor, you can use `-has_ro…
90 add_role(HHV, new_role = "nocenter") %>%
91 step_center(all_predictors(), -has_role("nocenter")) %>%
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/bq_nio/ |
| H A D | bq_nio.nw | 99 #1) add nocenter to geometry object
104 geometry nio_new units angstrom noautoz nocenter noprint noautosym
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/bq_nio/ |
| H A D | bq_nio.nw | 99 #1) add nocenter to geometry object
104 geometry nio_new units angstrom noautoz nocenter noprint noautosym
|