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Accelerate test

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This commit is contained in:
Matthias Krack 2021-10-19 12:46:25 +02:00
parent bfbd41c0eb
commit 4ac83d3d2b
2 changed files with 4 additions and 4 deletions
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6
tests/Fist/regtest-pol/KCl.inp
View file

@ -7,7 +7,7 @@
&MOTION
&MD
ENSEMBLE NPT_I
STEPS 40
STEPS 10
TIMESTEP 1.0
TEMPERATURE 1070
&THERMOSTAT
@ -49,12 +49,12 @@
&END STRESS
&RESTART on
&EACH
MD 20
MD 5
&END EACH
&END RESTART
&RESTART_HISTORY
&EACH
MD 20
MD 5
&END EACH
&END RESTART_HISTORY
&END PRINT

2
tests/Fist/regtest-pol/TEST_FILES
View file

@ -20,5 +20,5 @@ flibe.inp 2 1.0E-14 -
fli_small1.inp 11 1.0E-14 1.310083443876858
fli_small2.inp 11 1.0E-14 -0.280532103030175
fli_small3.inp 11 1.0E-14 -0.204261021617205
KCl.inp 11 1.0E-14 -24.317268314809542
KCl.inp 11 1.0E-14 -24.179348645557010
#EOF