From 350f45f2abe20407bb720403c16f39ea432cb6f5 Mon Sep 17 00:00:00 2001 From: Jan Siwiec <jan.siwiec@vsb.cz> Date: Thu, 9 Jan 2025 06:53:19 +0100 Subject: [PATCH] Update orca.md --- docs.it4i/software/chemistry/orca.md | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/docs.it4i/software/chemistry/orca.md b/docs.it4i/software/chemistry/orca.md index d37b990b..be14de88 100644 --- a/docs.it4i/software/chemistry/orca.md +++ b/docs.it4i/software/chemistry/orca.md @@ -202,6 +202,8 @@ In version 6.0.0, only the following modules are parallelized: * VPT2 * NEB (Nudged Elastic Band +<!-- + ## Example Submission Script The following script contains all of the necessary instructions to run an ORCA job, @@ -261,6 +263,8 @@ rm -rf $SCRDIR exit ``` +--> + ## Register as User You are encouraged to register as a user of ORCA [here][a] -- GitLab