From 6d29494b20c5c38dc2aa27339e00720b945f61ce Mon Sep 17 00:00:00 2001 From: easybuild <you@example.com> Date: Tue, 21 Sep 2021 10:45:03 +0200 Subject: [PATCH] Tue, 21 Sep 2021 10:45:03 +0200 --- karolina.csv | 2 ++ karolina.md | 1 + 2 files changed, 3 insertions(+) diff --git a/karolina.csv b/karolina.csv index 3480d9a3..183593b5 100644 --- a/karolina.csv +++ b/karolina.csv @@ -352,6 +352,7 @@ libunwind/1.4.0-GCCcore-10.2.0,1 libunwind/1.4.0-GCCcore-10.3.0,1 libxc/2.2.3-intel-2020a,1 libxc/4.3.4-iccifort-2020.4.304,1 +libxc/4.3.4-intel-2020b,1 libxml2/2.9.10-GCCcore-10.2.0,1 libxml2/2.9.10-GCCcore-10.3.0,1 libxml2/2.9.10-GCCcore-9.3.0,1 @@ -571,6 +572,7 @@ VESTA/3.5.7-gtk3,1 VirtualGL/2.6.5-GCC-10.3.0,1 VTune/2019_update5,1 VTune/2020_update3,1 +Wannier90/3.1.0-intel-2020b,1 X11/20200222-GCCcore-9.3.0,1 X11/20201008-GCCcore-10.2.0,1 X11/20210518-GCCcore-10.3.0,1 diff --git a/karolina.md b/karolina.md index 9dc8b31f..cc4cee93 100644 --- a/karolina.md +++ b/karolina.md @@ -32,6 +32,7 @@ | [Schrodinger](http://www.schrodinger.com/) | Schrödinger aims to provide integrated software solutions and services that truly meet its customers▒~@~Y needs. We want to empower researchers around the world to achieve their goals of improving human health and quality of life through advanced local_computational techniques that transform the way chemists design local_compounds and materials. | | [spglib-python](https://pypi.python.org/pypi/spglib) | Spglib for Python. Spglib is a library for finding and handling crystal symmetries written in C. | | [TURBOMOLE](https://www.turbomole.org/) | TURBOMOLE is a quantum chemical program package, initially developed in the group of Prof. Dr. Reinhart Ahlrichs at the University of Karlsruhe and at the Forschungszentrum Karlsruhe. Until 2007 the main development of the program was conducted by students and postdoctoral researchers in the group of Ahlrichs, who usually changed their field of work after leaving the group. Therefore, the code was well localized at and, consequently, owned by the University of Karlsruhe. However, since 2007 the situation has changed. Several people, who started their work with TURBOMOLE in Karlsruhe, still make significant contributions and feel responsible for the program, but do no longer reside in Karlsruhe. It was thus necessary to arrange the development of TURBOMOLE in a different manner, namely as a company. | +| [Wannier90](http://www.wannier.org) | A tool for obtaining maximally-localised Wannier functions | ## Compiler -- GitLab