Publication date
September 2022
DOIAbstract
Bug fix Full Changelog: https://github.com/eftalgezer/SIESTAstepper/compare/v1.2.2...v1.2.
Bug fix Full Changelog: https://github.com/eftalgezer/SIESTAstepper/compare/v1.2.2...v1.2.
CG and LWF support to continue interrupted calculations ion support as a pseudopotential file update...
energy_diff function is added. It is possible to get energy differences between minima and maxima. B...
Backwards compatibility analysis is renamed as energy_analysis force_analysis, force_diff, pair_corr...
Bug fix Full Changelog: https://github.com/eftalgezer/SIESTAstepper/compare/v1.2.0...v1.2.
Tests added Bug fix Full Changelog: https://github.com/eftalgezer/SIESTAstepper/compare/v1.2.1...v1...
Bug fix on init.py Full Changelog: https://github.com/eftalgezer/SIESTAstepper/compare/v0.4.1...v0.4...
Bug fixes on pip installation Full Changelog: https://github.com/eftalgezer/SIESTAstepper/compare/v0...
Anaconda support Full Changelog: https://github.com/eftalgezer/SIESTAstepper/compare/v0.2.0...v0.3.
Bug fix on setup.py Full Changelog: https://github.com/eftalgezer/ANIAnimator/compare/v0.2.0...v0.2.
mpirun support: Running SIESTA on parallel Full Changelog: https://github.com/eftalgezer/SIESTAstepp...
Merging ANI files and some code refactorisation Full Changelog: https://github.com/eftalgezer/SIESTA...
Bug fix Linting update_cwd, update_log, update_cores, update_conda, update_cont, update_siesta, cont...
Backwards compatibility Full Changelog: https://github.com/eftalgezer/ANIAnimator/compare/v0.1.0...v...
Camera is added Full Changelog: https://github.com/eftalgezer/ANIAnimator/compare/v0.0.1...v0.1.
Full Changelog: https://github.com/FZJ-INM1-BDA/siibra-api/compare/v0.3.1...v0.3.
CG and LWF support to continue interrupted calculations ion support as a pseudopotential file update...
energy_diff function is added. It is possible to get energy differences between minima and maxima. B...
Backwards compatibility analysis is renamed as energy_analysis force_analysis, force_diff, pair_corr...
Bug fix Full Changelog: https://github.com/eftalgezer/SIESTAstepper/compare/v1.2.0...v1.2.
Tests added Bug fix Full Changelog: https://github.com/eftalgezer/SIESTAstepper/compare/v1.2.1...v1...
Bug fix on init.py Full Changelog: https://github.com/eftalgezer/SIESTAstepper/compare/v0.4.1...v0.4...
Bug fixes on pip installation Full Changelog: https://github.com/eftalgezer/SIESTAstepper/compare/v0...
Anaconda support Full Changelog: https://github.com/eftalgezer/SIESTAstepper/compare/v0.2.0...v0.3.
Bug fix on setup.py Full Changelog: https://github.com/eftalgezer/ANIAnimator/compare/v0.2.0...v0.2.
mpirun support: Running SIESTA on parallel Full Changelog: https://github.com/eftalgezer/SIESTAstepp...
Merging ANI files and some code refactorisation Full Changelog: https://github.com/eftalgezer/SIESTA...
Bug fix Linting update_cwd, update_log, update_cores, update_conda, update_cont, update_siesta, cont...
Backwards compatibility Full Changelog: https://github.com/eftalgezer/ANIAnimator/compare/v0.1.0...v...
Camera is added Full Changelog: https://github.com/eftalgezer/ANIAnimator/compare/v0.0.1...v0.1.
Full Changelog: https://github.com/FZJ-INM1-BDA/siibra-api/compare/v0.3.1...v0.3.
CG and LWF support to continue interrupted calculations ion support as a pseudopotential file update...
energy_diff function is added. It is possible to get energy differences between minima and maxima. B...
Backwards compatibility analysis is renamed as energy_analysis force_analysis, force_diff, pair_corr...
Add to ORKG