From b351255c55714c7c29be719f75346fcdcaccd855 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Thu, 1 Aug 2024 09:33:03 +0200 Subject: [PATCH 1/2] Update LAMMPS to 2024.06.27 --- md/environment.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/md/environment.yml b/md/environment.yml index ebf42674..8244bab5 100644 --- a/md/environment.yml +++ b/md/environment.yml @@ -6,5 +6,5 @@ dependencies: - pyscal =2.10.18 - pyiron-data =0.0.29 - nglview =3.1.2 -- lammps =2023.11.21=*openmpi* +- lammps =2024.06.27=*openmpi* - openkim-models =2021.01.28 From c4c363f56230db1f3314d908a6afb3b02407150a Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Thu, 1 Aug 2024 20:26:02 +0200 Subject: [PATCH 2/2] Update environment.yml --- mpie_cmti/environment.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mpie_cmti/environment.yml b/mpie_cmti/environment.yml index 73b9899c..4e38c296 100644 --- a/mpie_cmti/environment.yml +++ b/mpie_cmti/environment.yml @@ -10,7 +10,7 @@ dependencies: - pyiron_workflow =0.9.4 - pyiron_gui =0.0.12 - matgl =1.1.2 -- mlip =2.0 +- mlip =3.0 - sqsgenerator =0.3 - pyiron_gpl =0.0.5 - python-ace =0.3.0