LCPQ/eplf
10
0
Fork 0
mirror of https://gitlab.com/scemama/eplf synced 2024-10-30 10:48:33 +01:00
Code Issues Releases Wiki Activity

Fix README:

Browse Source
This commit is contained in:
Anthony Scemama 2020-06-03 23:37:35 +02:00
parent 918d847826
commit 4f15626893
1 changed files with 2 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
README.org
View File

@ -37,12 +37,12 @@ Computes the Electron Pair Localization Function.
Go into the =test= directory and execute the following commands to make
a test run with an Gaussian output file.
1. Run the =eplf_input.py= script to convert the output file into an
1. Run the =to_ezfio.py= script to convert the output file into an
EZFIO directory containing all the data required for the
computation:
#+begin_src shell
eplf_input.py c2h.out
to_ezfio.py c2h.out
#+end_src
The =c2h.out.ezfio= directory is produced.