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Accelerate test
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mkrack committed Oct 19, 2021
1 parent bfbd41c commit 4ac83d3
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Showing 2 changed files with 4 additions and 4 deletions.
6 changes: 3 additions & 3 deletions tests/Fist/regtest-pol/KCl.inp
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Expand Up @@ -7,7 +7,7 @@
&MOTION
&MD
ENSEMBLE NPT_I
STEPS 40
STEPS 10
TIMESTEP 1.0
TEMPERATURE 1070
&THERMOSTAT
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&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
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2 changes: 1 addition & 1 deletion tests/Fist/regtest-pol/TEST_FILES
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Expand Up @@ -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

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