Versatile Object-oriented Toolkit for Coarse-graining Applications
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.
- Developed at science
- Sources inherited from project openSUSE:Factory
-
3
derived packages
- Download package
-
Checkout Package
osc -A https://api.opensuse.org checkout openSUSE:Backports:SLE-15-SP4:FactoryCandidates/votca && cd $_ - Create Badge
Refresh
Refresh
Source Files
| Filename | Size | Changed |
|---|---|---|
| _constraints | 0000000249 249 Bytes | |
| votca-2024.tar.gz | 0038976012 37.2 MB | |
| votca.changes | 0000008241 8.05 KB | |
| votca.spec | 0000007316 7.14 KB |
Revision 10 (latest revision is 13)
Ana Guerrero (anag+factory)
accepted
request 1143680
from
Christoph Junghans (cjunghans)
(revision 10)
- Drop python3-espressomd testing dependency, revert once gh#espressomd/espresso#4856 is fixed. - Dropped 1093.patch, merged upstream - fix links in README and doc ([gh#votca/votca#1091]) - fix python shebang to python3 ([gh#votca/votca#1093]) - Clean-up CI ([gh#votca/votca#1092], [gh#votca/votca#1095]) - remove reference to old webpage ([gh#votca/votca#1094]) - fix doc generation without pyxtp ([gh#votca/votca#1097]) - Do not run gmx tests without libgromacs ([gh#votca/votca#1099]) - KS-QMMM for single-particle states ([gh#votca/votca#1100]) - Spin-orbitals from ORCA in QMMM ([gh#votca/votca#1101]) - better unit test for DFT embedding ([gh#votca/votca#1102]) - Update to 2024
Comments 0