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svn-origin-rev: 13405
This commit is contained in:
Joost VandeVondele 2013-12-05 13:28:43 +00:00
parent 3d1d0567f5
commit ea4b6ab011
4 changed files with 4 additions and 4 deletions
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2
tests/Fist/regtest-excl-R/TEST_FILES
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@ -25,7 +25,7 @@ ethanol_both_rcut10.0_e1-2_v1-1_R_R.inp 11
ethanol_both_rcut10.0_e1-2_v1-1_RSR.inp 11
ethanol_both_rcut10.0_e1-2_v1-1__SR.inp 11
ethanol_both_rcut10.0_e1-2_v1-2___R.inp 11
ethanol_both_rcut10.0_e1-2_v1-2_R_R.inp 11
ethanol_both_rcut10.0_e1-2_v1-2_R_R.inp 11 1e-13
ethanol_both_rcut10.0_e1-2_v1-2_RSR.inp 11
ethanol_both_rcut10.0_e1-2_v1-2__SR.inp 11
ethanol_both_rcut10.0_e1-2_v1-3___R.inp 11

2
tests/NEB/regtest-2/TEST_FILES
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@ -4,7 +4,7 @@
# 1 compares the last total energy in the file
# for details see cp2k/tools/do_regtest
2gly_DIIS-OEP-NEB.inp 10 6e-11
2gly_DIIS-NEB.inp 10 3e-14
2gly_DIIS-NEB.inp 10 7e-14
2gly_DIIS-SD-NEB.inp 10 2e-11
2gly_DIIS-SD-2.inp 10 4e-10
2gly_DIIS-DNEB.inp 10 9e-13

2
tests/QS/regtest-gpw-6-2/TEST_FILES
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@ -1,4 +1,4 @@
si8_noort_broy_wc_jacobi_all.inp 23
si8_noort_broy_wc_jacobi_all.inp 23 2e-12
si8_noort_broy_wc_jacobi_ene2.inp 23
si8_noort_broy_wc_jacobi_ene1.inp 23 1E-11
si8_noort_broy_wc_direct_ene.inp 23 1E-9

2
tests/QS/regtest-gpw-8/TEST_FILES
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@ -3,7 +3,7 @@ bug_ai_moments.inp 39
#
si8_broy_stm.inp 1
si8_broy_wc.inp 23 8e-07
si8_broy_wc_crazy.inp 23 1e-12
si8_broy_wc_crazy.inp 23 1e-06
si8_broy_wc_crazy_ene.inp 23 1E-12
# block Davidson diagonalization
si8_broy_dav_t300.inp 1 2e-12