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rkronberg committed Apr 24, 2023
1 parent 7ab5988 commit 025b77b
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1 change: 1 addition & 0 deletions aimd/README.md
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Expand Up @@ -85,6 +85,7 @@ thermal energy) that we can see and sample it.
where $P(q)$ is the probability density of $q$.

```bash
$ module load mesa-settings
$ python3 energy.py enol-aimd-nowater.xyz
```

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2 changes: 1 addition & 1 deletion hybrid/farming.inp
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@@ -1,6 +1,6 @@
&GLOBAL
PROJECT farming ! Project name, gets prepended to all output files
PROGRAM FARMING ! Define farming-type job
PROGRAM TODO ! Define farming-type job
RUN_TYPE NONE ! Farming master inputs should have RUN_TYPE NONE
&END GLOBAL
&FARMING
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