From 0b728d62e7dbd618e6c1d032c8d3cedb3d900806 Mon Sep 17 00:00:00 2001 From: ydamour Date: Sat, 11 Mar 2023 23:29:02 +0100 Subject: [PATCH] update doc --- src/mol_properties/README.md | 8 ++++++++ 1 file changed, 8 insertions(+) diff --git a/src/mol_properties/README.md b/src/mol_properties/README.md index 583e79ea..637b76d7 100644 --- a/src/mol_properties/README.md +++ b/src/mol_properties/README.md @@ -15,3 +15,11 @@ If you are interested in transitions between two excited states: ``` qp set mol_properties print_all_transitions true ``` +They can be obtained by running +``` +qp run properties +``` +or at each step of a cipsi calculation with +``` +qp run fci +```