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Provide more digits for the reference value
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@mkrack
mkrack committed Oct 14, 2020
1 parent 5895a3a commit 7b78d28
Showing 1 changed file with 7 additions and 7 deletions.
14 changes: 7 additions & 7 deletions tests/QS/regtest-polar/TEST_FILES
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Expand Up @@ -3,11 +3,11 @@
# e.g. 0 means do not compare anything, running is enough
# 1 compares the last total energy in the file
# for details see cp2k/tools/do_regtest
h2o_LRraman.inp 60 2e-05 0.00613
h2o_LRraman_loc.inp 60 2e-05 0.00915
h2o_LRraman_noort.inp 60 2e-05 0.02330
H2O_md_polar.inp 60 4e-04 0.63555
xTB_LRraman.inp 60 2e-05 0.80485
xTB_LRraman_loc.inp 60 2e-05 0.80485
h2o_LRraman_LRI.inp 60 2e-05 0.00426
h2o_LRraman.inp 60 2e-05 0.006125121412
h2o_LRraman_loc.inp 60 2e-05 0.009153812508
h2o_LRraman_noort.inp 60 2e-05 0.023303680948
H2O_md_polar.inp 60 4e-04 0.635317998131
xTB_LRraman.inp 60 2e-05 0.804852847403
xTB_LRraman_loc.inp 60 2e-05 0.804852847403
h2o_LRraman_LRI.inp 60 2e-05 0.004262309795
#EOF

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