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edoapra 2021-11-08 17:43:05 -08:00
parent ac02773c8d
commit 9fcb2bdb88
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23 changed files with 23 additions and 0 deletions
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QA/tests/nwxc_pspw_1ar/nwxc_pspw_1ar.nw
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@ -1,6 +1,7 @@
# $Id$
echo
#memory 950 mb
start nwxc_dat

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QA/tests/pspw-grimme/pspw-grimme.nw
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@ -18,6 +18,7 @@ title "2 water molecules using pbe-grimme2, pbe-grimme3"
echo
start pspw_grimme
memory 1900 mb
geometry nocenter noautosym noautoz print

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QA/tests/pspw_acm_h2o/pspw_acm_h2o.nw
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@ -4,6 +4,7 @@ echo
start pspw_acm_H2O1
memory 1900 mb
charge 0

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QA/tests/pspw_b3lyp_h2o/pspw_b3lyp_h2o.nw
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@ -4,6 +4,7 @@ echo
start pspw_b3lyp_H2O1
memory 1900 mb
charge 0

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QA/tests/pspw_beef_h2o/pspw_beef_h2o.nw
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@ -4,6 +4,7 @@ echo
start pspw_beef_H2O1
memory 1900 mb
charge 0

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QA/tests/pspw_blyp_h2o/pspw_blyp_h2o.nw
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@ -4,6 +4,7 @@ echo
start pspw_blyp_H2O1
memory 1900 mb
charge 0

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QA/tests/pspw_bp86_h2o/pspw_bp86_h2o.nw
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@ -4,6 +4,7 @@ echo
start pspw_bp86_H2O1
memory 1900 mb
charge 0

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QA/tests/pspw_bp91_h2o/pspw_bp91_h2o.nw
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@ -4,6 +4,7 @@ echo
start pspw_bp91_H2O1
memory 1900 mb
charge 0

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QA/tests/pspw_hcth120_h2o/pspw_hcth120_h2o.nw
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@ -4,6 +4,7 @@ echo
start pspw_hcth120_H2O1
memory 1900 mb
charge 0

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QA/tests/pspw_hcth147_h2o/pspw_hcth147_h2o.nw
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@ -4,6 +4,7 @@ echo
start pspw_hcth147_H2O1
memory 1900 mb
charge 0

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QA/tests/pspw_hcth407_h2o/pspw_hcth407_h2o.nw
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@ -4,6 +4,7 @@ echo
start pspw_hcth407_H2O1
memory 1900 mb
charge 0

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QA/tests/pspw_hcth_h2o/pspw_hcth_h2o.nw
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@ -4,6 +4,7 @@ echo
start pspw_hcth_H2O1
memory 1900 mb
charge 0

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QA/tests/pspw_hse_h2o/pspw_hse_h2o.nw
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@ -4,6 +4,7 @@ echo
start pspw_hse_H2O1
memory 1900 mb
charge 0

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QA/tests/pspw_mpw1k_h2o/pspw_mpw1k_h2o.nw
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@ -4,6 +4,7 @@ echo
start pspw_mpw1k_H2O1
memory 1900 mb
charge 0

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QA/tests/pspw_pbe0_h2o/pspw_pbe0_h2o.nw
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@ -4,6 +4,7 @@ echo
start pspw_b3lyp_H2O1
memory 1900 mb
charge 0

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QA/tests/pspw_pbesol_h2o/pspw_pbesol_h2o.nw
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@ -4,6 +4,7 @@ echo
start pspw_pbesol_H2O1
memory 1900 mb
charge 0

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QA/tests/pspw_pw91_h2o/pspw_pw91_h2o.nw
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@ -4,6 +4,7 @@ echo
start pspw_pw91_H2O1
memory 1900 mb
charge 0

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QA/tests/pspw_revpbe_h2o/pspw_revpbe_h2o.nw
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@ -4,6 +4,7 @@ echo
start pspw_revpbe_H2O1
memory 1900 mb
charge 0

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QA/tests/pspw_scan_h2o/pspw_scan_h2o.nw
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@ -4,6 +4,7 @@ echo
start pspw_scan_H2O1
memory 1900 mb
charge 0

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QA/tests/pspw_sogga11-x_h2o/pspw_sogga11-x_h2o.nw
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@ -4,6 +4,7 @@ echo
start pspw_sogga11-x_H2O1
memory 1900 mb
charge 0

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QA/tests/pspw_sogga_h2o/pspw_sogga_h2o.nw
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@ -4,6 +4,7 @@ echo
start pspw_sogga_H2O1
memory 1900 mb
charge 0

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QA/tests/pspw_tpss03_h2o/pspw_tpss03_h2o.nw
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@ -4,6 +4,7 @@ echo
start pspw_tpss03_H2O1
memory 1900 mb
charge 0

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QA/tests/pspw_vs98_h2o/pspw_vs98_h2o.nw
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@ -6,6 +6,7 @@ start pspw_vs98_H2O1
memory 1900 mb
memory 1900 mb
charge 0