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BigDFT-group
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aiida-bigdft-plugin-legacy
BigDFT plugin for Aiida
MIT License
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Add LICENSE file
#7
chrisjsewell
opened
2 years ago
0
Updates needed for AiiDA 2.0
#6
yakutovicha
opened
3 years ago
0
`BigDftCalculation`: pass pseudo potentials directly in as nodes not as a `List` of relative filepaths
#5
sphuber
opened
3 years ago
0
`BigDftCalculation`: explicitly add optimized structure as an output
#4
sphuber
opened
3 years ago
0
`BigDftCalculation`: return exit code if the calculation ran out of walltime
#3
sphuber
opened
3 years ago
5
postscript entry point does not start with `bigdft`
#2
ltalirz
closed
3 years ago
0
register on aiida-registry?
#1
ltalirz
closed
4 years ago
1