bjmorgan / py-sc-fermi / 26174243092

Builds Branch Commit Type Ran Committer Via Coverage
26174243092 main Make DOS integrations more robust to noise / band-edge effects (#55) Integrate carrier densities from edos[0] to mid-gap (rather than terminating at the VBM/CBM indices), so the result is largely independent of the band-edge index location — for ... push web-flow github
95.11
26172738516 DOS_accuracy Merge d1023ab52 into f29512912 Pull #55 web-flow github
95.11
26170205588 DOS_accuracy Merge a1ad96529 into f29512912 Pull #55 web-flow github
95.11
26167180580 DOS_accuracy Merge 656c35856 into f29512912 Pull #55 web-flow github
95.11
26162663937 DOS_accuracy Merge b5410f91a into f29512912 Pull #55 web-flow github
95.09
26162526486 DOS_accuracy Merge f3f8e892b into f29512912 Pull #55 web-flow github
95.14
26130968825 DOS_accuracy Merge 5a153be72 into f29512912 Pull #55 web-flow github
95.14
26130352566 DOS_accuracy Merge 97ff41caa into f29512912 Pull #55 web-flow github
95.14
20922389934 2.1.0 Release 2.1.0 push bjmorgan github
95.1
20922344391 2.1.0 Merge pull request #54 from bjmorgan/refactor-fermi-solver Refactor get_sc_fermi to use scipy.optimize.brentq push web-flow github
95.1
20922182331 main Merge pull request #54 from bjmorgan/refactor-fermi-solver Refactor get_sc_fermi to use scipy.optimize.brentq push web-flow github
95.1
20921859406 refactor-fermi-solver Address additional PR review comments - Use .get() for convergence_tolerance in DefectSystem.from_dict - Fix from_dict docstring (was incorrectly copied from from_yaml) - Add blank lines between import groups (PEP 8) - Add early return when const... Pull #54 bjmorgan github
95.1
20921487608 refactor-fermi-solver Fixing formatting Pull #54 bjmorgan github
95.1
20921444244 refactor-fermi-solver Address PR review comments - Add validation for negative degeneracy in DefectChargeState - Add validation for fixed charge state concentrations exceeding total - Update docstrings for charge_state_concentrations, from_sc_fermi_inputs - Rename sol... Pull #54 bjmorgan github
95.1
20920836919 refactor-fermi-solver Refactor get_sc_fermi to use scipy.optimize.brentq Replaced custom bisection-like solver with scipy's Brent's method. Benefits: - 40x faster (2.6ms vs 102ms per solve) - Simpler, more robust code - Well-tested implementation Changes: - n_trial_... Pull #54 bjmorgan github
94.92