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Testing: Move QS/C.inp into QS/regtest-gpw-2-2

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Ole Schütt 2026-03-23 16:28:49 +01:00 • committed by Ole Schütt
parent 482f4e8cbe
commit 554bc177a1
4 changed files with 1 additions and 6 deletions
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5
tests/QS/TEST_FILES.toml
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@ -1,5 +0,0 @@
# runs are executed in the same order as in this file
# the second field tells which test should be run in order to compare with the last available output
# see regtest/TEST_FILES
"C.inp" = [{matcher="E_total", tol=7e-12, ref=-5.3386305984555102}]
#EOF

0
tests/QS/C.inp → tests/QS/regtest-gpw-2-2/C.inp
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1
tests/QS/regtest-gpw-2-2/TEST_FILES.toml
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@ -1,3 +1,4 @@
"C.inp" = [{matcher="E_total", tol=7e-12, ref=-5.3386305984555102}]
"H2O-meta_kinds.inp" = [{matcher="E_total", tol=4e-14, ref=-17.16166674842984}]
"H2O-meta.inp" = [{matcher="E_total", tol=2e-14, ref=-17.16168353866058}]
"H2O-meta_res0.inp" = [{matcher="E_total", tol=4e-14, ref=-17.16173774136890}]

1
tests/TEST_DIRS
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@ -389,7 +389,6 @@ QS/regtest-harris
TAMC/regtest
QS/regtest-fftw-wisdom fftw3
FE/regtest-2
QS
QS/regtest-gw-ic-model libint !ifx
NEB/regtest-3
QS/regtest-sto