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svn-origin-rev: 14842
This commit is contained in:
Joost VandeVondele 2014-12-13 08:34:30 +00:00
parent c6c56421b4
commit 7d1f0ee2b3
3 changed files with 4 additions and 4 deletions
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2
tests/QS/regtest-gapw-4/TEST_FILES
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@ -16,7 +16,7 @@ Ne-BP.inp 1
# mixed GPW/FULL_GAPW run
H2O_gpw_full_gapw.inp 1 2e-13
H2O_Onopaw.inp 1 2e-13
H2O_allnopaw.inp 1 3e-13
H2O_allnopaw.inp 1 8e-13
H2O_Hnopaw_pp.inp 1 2e-12
H_hf_gapw_forcepaw.inp 1 1e-13
H_hf_gapw_nopaw.inp 1 7e-13

4
tests/QS/regtest-gpw-2-3/TEST_FILES
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@ -6,9 +6,9 @@ hcn_meta_coord.inp 1 4e-14
hcn_meta_chaincoord.inp 1 7e-14
hcn_meta_chaincoord_kind.inp 1 1E-13
# Population colvar
H2O_meta_pop.inp 1 1e-09
H2O_meta_pop.inp 1 4e-09
# Metadynamics with langevin on COLVAR
H2O_meta_langevin.inp 1 2e-09
H2O_meta_langevin.inp 1 4e-09
#gyration radius
Au13ico_mtd.inp 1 2e-13
# rmsd AB

2
tests/TAMC/regtest/TEST_FILES
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@ -5,4 +5,4 @@
# 6 looks for the final energy of the MC simulation
# for details see cp2k/tools/do_regtest
#
dimer.inp 11 5e-05
dimer.inp 11 1e-04