Skip to content

Commit

Permalink
Update README.md
Browse files Browse the repository at this point in the history
  • Loading branch information
nfaguirrec authored Mar 28, 2024
1 parent 9f486ff commit 795fbd3
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion README.md
Original file line number Diff line number Diff line change
Expand Up @@ -87,7 +87,7 @@ nCO2 = [2790, 2790, 2790, 2792, 2792, 2793, 2793, 2795, 2797, 2797]
```

It indicates that pyZacros created a uniquely named working folder (``plams_workdir``) and then ran the Zacros calculation in a separate
subfolder of the working folder (``plamsjob``). All the files created by each Zacros run are saved in the corresponding subfolder for future reference. However, notice that you can access the results directly from the python script. To illustrate this, see line 54 of the script that produces line 6 in the standard output, which prints the number of CO2 molecules produced in the last ten-time steps of the simulation.
subfolder of the working folder (``plamsjob``). All the files created by each Zacros run are saved in the corresponding subfolder for future reference. However, notice that you can access the results directly from the python script. To illustrate this, see line 64 of the script that produces line 6 in the standard output, which prints the number of CO2 molecules produced in the last ten-time steps of the simulation.

Further reading
--------------------
Expand Down

0 comments on commit 795fbd3

Please sign in to comment.