From 93aac6d4e3b51c78b7b1a19e042acebb454354bf Mon Sep 17 00:00:00 2001 From: jxzou Date: Tue, 28 Jun 2022 21:31:20 +0800 Subject: [PATCH] Update package_index.yml Add descriptions of package MOKIT --- _data/package_index.yml | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/_data/package_index.yml b/_data/package_index.yml index 3002ffb83..b04cddf9a 100644 --- a/_data/package_index.yml +++ b/_data/package_index.yml @@ -1424,6 +1424,12 @@ categories: scientific tags: hpc earthquakes dynamic-rupture license: BSD-3-Clause + +- name: MOKIT + gitlab: jxzou/mokit + description: Molecular orbital transfer utilities and automatic multi-reference calculations + categories: scientific + tags: electronic-structure quantum-chemistry casscf # --- Examples / demos / templates ---