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Commit 625a2493 authored by easybuild's avatar easybuild
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Tue, 21 Sep 2021 14:30:10 +0200

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......@@ -415,6 +415,7 @@ Molpro/mpp-2021.1.0.linux_x86_64_openmp,1
Mono/6.12.0.122,1
MPC/1.2.1-GCCcore-10.2.0,1
MPFR/4.1.0-GCCcore-10.2.0,1
mpi4py/3.1.1-intel-2020b,1
MPICH/3.3.2-GCC-10.2.0,1
NASM/2.13.03,1
NASM/2.15.05,1
......
......@@ -268,6 +268,12 @@
| TB2J | Old module, description not available. |
| [VASP](http://www.vasp.at) | The Vienna Ab initio Simulation Package (VASP) is a local_computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles. To use VASP, You need academic licenses from University of Wiena. Follow the instructions https://www.vasp.at/index.php/faqs. Then send us please a list of authorized users and their ID for which you need this access. Please use only http://support.it4i.cz/rt. We are responsible to verify your licenses. After succesfull verification You will be granted to use VASP in our enviroment. |
## Python
| Module | Description |
| ------ | ----------- |
| [mpi4py](http://mpi4py.scipy.org/docs) | MPI for Python (mpi4py) provides bindings of the Message Passing Interface (MPI) standard for the Python programming language, allowing any Python program to exploit multiple processors. |
## System
| Module | Description |
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