Versatile Object-oriented Toolkit for Coarse-graining Applications

Edit Package votca

VOTCA is a software package which focuses on the analysis of molecular dynamics data, the development of systematic coarse-graining techniques as well as methods used for simulating microscopic charge (and exciton) transport in disordered semiconductors.

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Filename Size Changed
_constraints 0000000265 265 Bytes
votca-2022.tar.gz 0061688862 58.8 MB
votca.changes 0000002028 1.98 KB
votca.spec 0000007650 7.47 KB
Revision 3 (latest revision is 13)
Richard Brown's avatar Richard Brown (RBrownFactory) accepted request 991629 from Christoph Junghans's avatar Christoph Junghans (cjunghans) (revision 3)
- only use python3-epressomd for testing on x86_64
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