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docs: updated software list
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kcgthb committed Sep 20, 2024
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9 changes: 9 additions & 0 deletions includes/data/software.yml
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Expand Up @@ -5981,6 +5981,15 @@ software_modules:
license: {restricted: 1}
parallel: {mpi: 1}
versionName: 6.4.1
- description: The Vienna Ab initio Simulation Package (VASP) is a computer
program for atomic scale materials modelling, e.g. electronic structure
calculations and quantum-mechanical molecular dynamics, from first principles.
markedDefault: false
properties:
arch: {gpu: 1}
license: {restricted: 1}
parallel: {mpi: 1}
versionName: 6.4.3
- description: The Vienna Ab initio Simulation Package (VASP) is a computer
program for atomic scale materials modelling, e.g. electronic structure
calculations and quantum-mechanical molecular dynamics, from first principles.
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9 changes: 9 additions & 0 deletions src/docs/software/updates.xml
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Expand Up @@ -5,6 +5,15 @@
<description>Sherlock software update feed</description>
<link>https://www.sherlock.stanford.edu/docs/software/list</link>
<atom:link href="https://www.sherlock.stanford.edu/docs/software/updates.xml" rel="self" type="application/rss+xml"/>
<item>
<title>New version: chemistry/vasp version 6.4.3</title>
<description>The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles.</description>
<link>https://www.vasp.at</link>
<guid>https://www.sherlock.stanford.edu/docs/software/list/?add:v=6.4.3#vasp</guid>
<category>chemistry, computational chemistry</category>
<author>[email protected] (Kilian Cavalotti)</author>
<pubDate>Fri, 20 Sep 2024 16:28:32 -0700</pubDate>
</item>
<item>
<title>New version: devel/nvhpc version 24.7</title>
<description>NVIDIA HPC Software Development Kit (SDK) including C, C++, and Fortran compilers.</description>
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