From 4f15626893bcb4778b7b6022e5e7e1e6c6a8603c Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Wed, 3 Jun 2020 23:37:35 +0200 Subject: [PATCH] Fix README: --- README.org | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/README.org b/README.org index 8aed950..890924f 100644 --- a/README.org +++ b/README.org @@ -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.