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Build docs
#372:
Commit
368b381
pushed by
bernstei
1m 13s
main
main
1m 13s
View workflow file
Switch to ASE LangevinBAOAB
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#371:
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92992a8
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bernstei
1m 13s
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main
1m 13s
View workflow file
Fix error message with pressure and no temperature_tau
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#370:
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bernstei
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main
3m 41s
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Merge pull request #362 from libAtoms/MD_Langevin_BAOAB
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#369:
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3m 19s
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Add support for Langevin_BAOAB in wfl.generate.md
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#368:
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Add support for Langevin_BAOAB in wfl.generate.md
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Add support for Langevin_BAOAB in wfl.generate.md
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Add support for Langevin_BAOAB in wfl.generate.md
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Merge pull request #360 from tmko818/tyokai
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add arguments to remote_func_kwargs
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3m 40s
tmko818:tyokai
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Merge pull request #359 from gelzinyte/save_more_calc_results
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4m 0s
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switch from calc.get_property to calc.results.get
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3m 20s
gelzinyte:save_more_calc_results
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switch from calc.get_property to calc.results.get
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3m 17s
gelzinyte:save_more_calc_results
gelzinyte:save_more_calc_results
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Merge pull request #355 from libAtoms/save_more_calc_results
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#354:
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Allow for more general properties to be saved by the generic calculator
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3m 13s
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Allow for more general properties to be saved by the generic calculator
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3m 5s
save_more_calc_results
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3m 5s
View #355
View workflow file
Allow for more general properties to be saved by the generic calculator
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#351:
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3m 58s
save_more_calc_results
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3m 58s
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Allow for more general properties to be saved by the generic calculator
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#350:
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Merge pull request #358 from libAtoms/github_ci_pwscf
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#349:
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1f06410
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3m 18s
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main
3m 18s
View workflow file
build pw.x from source since ubuntu apt version is broken
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3m 51s
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