From c4c1b7c8915b90e1c63f60e8b5f07517f2836d50 Mon Sep 17 00:00:00 2001 From: Jan Siwiec <jan.siwiec@vsb.cz> Date: Wed, 27 May 2020 12:20:25 +0200 Subject: [PATCH] Update orca.md fixed introduction structure, related to #68 --- docs.it4i/software/chemistry/orca.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs.it4i/software/chemistry/orca.md b/docs.it4i/software/chemistry/orca.md index a1b8c4d5b..d0beb416d 100644 --- a/docs.it4i/software/chemistry/orca.md +++ b/docs.it4i/software/chemistry/orca.md @@ -1,6 +1,6 @@ # ORCA -##Introduction +## Introduction ORCA is a flexible, efficient, and easy-to-use general-purpose tool for quantum chemistry with specific emphasis on spectroscopic properties of open-shell molecules. It features a wide variety of standard quantum chemical methods ranging from semiempirical methods to DFT to single- and multireference correlated ab initio methods. It can also treat environmental and relativistic effects. -- GitLab