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Stabilize tests/QS/regtest-mp2-stress/H2O_stress_an.inp

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Ole Schütt 2020-05-03 23:35:53 +02:00 • committed by Ole Schütt
parent 8599b9349e
commit 784cdb7b9e
2 changed files with 3 additions and 3 deletions
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2
tests/QS/regtest-mp2-stress/H2O_stress_an.inp
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@ -5,7 +5,7 @@
&END GLOBAL
&MOTION
&CELL_OPT
MAX_ITER 1
MAX_ITER 0
&END
&END MOTION
&FORCE_EVAL

4
tests/QS/regtest-mp2-stress/TEST_FILES
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@ -1,5 +1,5 @@
H2O_stress_an.inp 31 2E-5 -6.50948035E+00
H2O_stress_numdiag_mme.inp 31 2e-04 7.69446727E-02
H2O_stress_an.inp 31 2E-5 -5.25545759E-01
H2O_stress_numdiag_mme.inp 31 2e-04 7.69739704E-02
H2_stress_num.inp 31 2e-04 -3.92969741E+00
H2_stress_num_mme.inp 31 1e-06 -1.10026734E+00
CH3_stress_an.inp 31 3e-04 1.66383004E+01