{"push_id":2506986136,"size":9,"distinct_size":0,"ref":"refs/heads/develop","head":"9cf26b96653cea4eb44301412217a60710e70581","before":"d1e8f66323912c507f97f59dc56d0c22f30dade9","commits":[{"sha":"6a6cc83957d71a2506024025c054b230dac0d5a8","author":{"name":"Stanislav Markov","email":"486bbbe31365e8f6f217e17d58f4cc664b58b71f@hku.hk"},"message":"Fixed tags for input/output electrons to work for dftb+ 18.1 as well; Fixed directions specification for effective masses","distinct":false,"url":"https://api.github.com/repos/smarkov/skpar/commits/6a6cc83957d71a2506024025c054b230dac0d5a8"},{"sha":"928cb6a9a79a6191f837312e172a39e7f6ddbe90","author":{"name":"Stanislav Markov","email":"486bbbe31365e8f6f217e17d58f4cc664b58b71f@hku.hk"},"message":"Typo fixed in plot task -- composition of filename; it was a recently introduced bug","distinct":false,"url":"https://api.github.com/repos/smarkov/skpar/commits/928cb6a9a79a6191f837312e172a39e7f6ddbe90"},{"sha":"5de98199cd1094351b7449e9dff2ac252b0bc94c","author":{"name":"Stanislav Markov","email":"486bbbe31365e8f6f217e17d58f4cc664b58b71f@hku.hk"},"message":"Had to elaborate the tag for electrons once more; else was failing on SOC in old (probably new too) dftb+","distinct":false,"url":"https://api.github.com/repos/smarkov/skpar/commits/5de98199cd1094351b7449e9dff2ac252b0bc94c"},{"sha":"945edc4aa914a7a7a86e078310db6cba74336a0e","author":{"name":"Stanislav Markov","email":"486bbbe31365e8f6f217e17d58f4cc664b58b71f@hku.hk"},"message":"Enabled control of PSO strict_bounds option from input yaml; NOTABENE: there's unused routine in the code, supposedly handling options, but nowhere it is called ever.","distinct":false,"url":"https://api.github.com/repos/smarkov/skpar/commits/945edc4aa914a7a7a86e078310db6cba74336a0e"},{"sha":"39645532c2759323c330cf6b9b06f63e1d377a96","author":{"name":"Stanislav Markov","email":"486bbbe31365e8f6f217e17d58f4cc664b58b71f@hku.hk"},"message":"First cut in rewriting bandstructure plotting to elimitate some issues. The core plot_bs routine is tested and works OK; the magic_plot_bs routine is not. Old routine and some rudimentary plotter class (unused previously) are removed","distinct":false,"url":"https://api.github.com/repos/smarkov/skpar/commits/39645532c2759323c330cf6b9b06f63e1d377a96"},{"sha":"92de33aff0595d4d5610dc2d19e8f493890fe0ae","author":{"name":"Stanislav Markov","email":"486bbbe31365e8f6f217e17d58f4cc664b58b71f@hku.hk"},"message":"Completed magic_plot_bs and tested; minor fix to plot_bs too.","distinct":false,"url":"https://api.github.com/repos/smarkov/skpar/commits/92de33aff0595d4d5610dc2d19e8f493890fe0ae"},{"sha":"091cde7d98ea2f5beee16d6874bcd6c061c5ed32","author":{"name":"Stanislav Markov","email":"486bbbe31365e8f6f217e17d58f4cc664b58b71f@hku.hk"},"message":"Major modifications in dftbutils on bandstructure plogging.\nAdditionally, the plot_objvs routine of the core skpar has been\nredone and the separated from tasksdict.py into a separate module\nplot.py, under the name skparplot.\nThis routine is generic enough to replace the plot_bs in\ndftbutils, but a while it is better to keep them separate.\nFinally, dftbutils bands supports new options, -p and some others,\nthat allow to plot the bandstructure after the calculation.\nAll tests currently pass.","distinct":false,"url":"https://api.github.com/repos/smarkov/skpar/commits/091cde7d98ea2f5beee16d6874bcd6c061c5ed32"},{"sha":"61235c74d9b27b33b39875ce65a1ad176984ba34","author":{"name":"Stanislav Markov","email":"486bbbe31365e8f6f217e17d58f4cc664b58b71f@hku.hk"},"message":"some more things to git-ignore","distinct":false,"url":"https://api.github.com/repos/smarkov/skpar/commits/61235c74d9b27b33b39875ce65a1ad176984ba34"},{"sha":"9cf26b96653cea4eb44301412217a60710e70581","author":{"name":"Stanislav Markov","email":"486bbbe31365e8f6f217e17d58f4cc664b58b71f@hku.hk"},"message":"The \"All tests pass now.\" from earlier comment should have had another\nline to follow: except those not written...\nThis is a bugfix -- dftbutils executable tasks are enabled again.\nAdditionally, ylim got a default and -q options will only plot the bs\nwithout running the simulation.","distinct":false,"url":"https://api.github.com/repos/smarkov/skpar/commits/9cf26b96653cea4eb44301412217a60710e70581"}]}
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