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Disable ELPA for tests/QS/regtest-almo-2/ion-pair.inp

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Ole Schütt 2024-03-08 23:13:09 +01:00 • committed by Ole Schütt
parent 6a30819246
commit 183cd10e95
2 changed files with 2 additions and 2 deletions
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2
tests/QS/regtest-almo-2/TEST_FILES
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@ -3,7 +3,7 @@ almo-no-deloc.inp 11 9e-12 -1
s-almo-no-deloc.inp 11 2e-5 -376.101195076451177
s-almo-no-deloc-odd-ne.inp 11 2e-5 -115.255611348790495
FH-chain.inp 11 3e-10 -98.108319997143496
ion-pair.inp 11 5e-08 -115.006279639496825
ion-pair.inp 11 2e-13 -115.006279639496825
LiF.inp 11 4e-12 -127.539319485641016
zero-electron-frag.inp 11 1e-08 -98.728605260047331
matrix-iterate.inp 11 1e-09 -127.379124535900814

2
tests/QS/regtest-almo-2/ion-pair.inp
View file

@ -1,4 +1,5 @@
&GLOBAL
PREFERRED_DIAG_LIBRARY SCALAPACK
PRINT_LEVEL LOW
PROJECT ion-pair
RUN_TYPE ENERGY
@ -48,7 +49,6 @@
&END QS
&SCF
EPS_SCF 5.0E-3
IGNORE_CONVERGENCE_FAILURE
MAX_SCF 20
SCF_GUESS ATOMIC
&OT