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Parallelize the screen driver over molecules (#97) Python application #195: Commit 2e706cd pushed by galjos
2m 2s main
main
2m 2s
Parallelize the screen driver over molecules Python application #194: Pull request #97 synchronize by galjos
1m 58s parallel-screen
parallel-screen
1m 58s
Parallelize the screen driver over molecules Python application #193: Pull request #97 opened by galjos
2m 7s parallel-screen
parallel-screen
2m 7s
Give Thermo total_* accessors default units (#95) Python application #192: Commit 34d1f03 pushed by galjos
1m 58s main
main
1m 58s
Give Thermo total_* accessors default units Python application #191: Pull request #95 opened by galjos
1m 53s default-accessor-units
default-accessor-units
1m 53s
Rank screen results by Gibbs free energy and report failures (#93) Python application #190: Commit a645977 pushed by galjos
2m 3s main
main
2m 3s
Rank screen results by Gibbs free energy and report failures Python application #189: Pull request #93 synchronize by galjos
2m 8s rank-screen-by-gibbs
rank-screen-by-gibbs
2m 8s
Rank screen results by Gibbs free energy and report failures Python application #188: Pull request #93 opened by galjos
2m 6s rank-screen-by-gibbs
rank-screen-by-gibbs
2m 6s
Add Thermo.temperature_scan reusing one Hessian (#91) Python application #187: Commit 723c53e pushed by galjos
2m 10s main
main
2m 10s
Add Thermo.temperature_scan reusing one Hessian Python application #186: Pull request #91 synchronize by galjos
1m 59s temperature-scan
temperature-scan
1m 59s
Add Thermo.temperature_scan reusing one Hessian Python application #185: Pull request #91 opened by galjos
1m 59s temperature-scan
temperature-scan
1m 59s
Add optional D3(BJ) dispersion to the DFTB+ engine (#89) Python application #184: Commit 72239aa pushed by galjos
2m 10s main
main
2m 10s
Add optional D3(BJ) dispersion to the DFTB+ engine Python application #183: Pull request #89 synchronize by galjos
2m 1s dftb-dispersion
dftb-dispersion
2m 1s
Add optional D3(BJ) dispersion to the DFTB+ engine Python application #182: Pull request #89 opened by galjos
2m 5s dftb-dispersion
dftb-dispersion
2m 5s
Raise on too few frequencies in frequency_dof (#87) Python application #181: Commit 309ca0f pushed by galjos
1m 57s main
main
1m 57s
Raise on too few frequencies in frequency_dof Python application #180: Pull request #87 synchronize by galjos
2m 1s fix-frequency-dof-underflow
fix-frequency-dof-underflow
2m 1s
Raise on too few frequencies in frequency_dof Python application #179: Pull request #87 opened by galjos
1m 55s fix-frequency-dof-underflow
fix-frequency-dof-underflow
1m 55s
Use python_min pin in the thermoscreening recipe (#85) Python application #178: Commit a9e5335 pushed by galjos
2m 18s main
main
2m 18s
Use python_min pin in the thermoscreening recipe Python application #177: Pull request #85 opened by galjos
2m 0s thermoscreening-recipe-python-min
thermoscreening-recipe-python-min
2m 0s
Move the PQAnalysis recipe to the PQAnalysis repository (#84) Python application #176: Commit fdd4244 pushed by galjos
1m 56s main
main
1m 56s
Move the PQAnalysis recipe to the PQAnalysis repository Python application #175: Pull request #84 opened by galjos
2m 1s clean-conda-recipes
clean-conda-recipes
2m 1s
Complete PQAnalysis recipe entry points for 1.3.0 (#83) Python application #174: Commit 663d4eb pushed by galjos
1m 54s main
main
1m 54s
Complete PQAnalysis recipe entry points for 1.3.0 Python application #173: Pull request #83 opened by galjos
2m 5s fix-pqanalysis-recipe-entrypoints
fix-pqanalysis-recipe-entrypoints
2m 5s
Add conda-forge recipes for ThermoScreening and PQAnalysis (#82) Python application #172: Commit 1e34db7 pushed by galjos
2m 1s main
main
2m 1s
Add conda-forge recipes for ThermoScreening and PQAnalysis Python application #171: Pull request #82 opened by galjos
2m 15s conda-forge-recipes
conda-forge-recipes
2m 15s