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scnc/abipy

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Vasilii Vasilchenko

Minor fix (#325)

sync with abipy/develop

some beautification for plot_scf_cycle in vpq

staged some work on the VPQ robot

staged some work on the VPQ robot: erange filter convergence

cosmetic adjustments to erange convergence

added VpqRobot method to plot convergence wrt supercell size

minor fix

minor fix

fix for tutorial

14天前3734次提交

.githubAdd type hints to lumi modules, test delta_SCF.plot_eigen_energies3个月前
abipyMinor fix (#325)14天前
binderInstall develop branch from github3年前
dev_scriptsCode cleanup in qha_aproximation.py4个月前
docsRegenerate doc1个月前
.coveragercRegenerate json ref files for GW (symsigma == 1)7年前
.gitignoreCode cleanup in qha_aproximation.py4个月前
.gitmodulesAdded submodule for example data4个月前
.nojekillCleanup7年前
.pycheckrc Import abipy package from abinit source tree.12年前
.travis.ymlAdd use_becs args to phbands.plot_lt_character4年前
CHANGELOG.rstRelease 0.9.88个月前
INSTALL Import abipy package from abinit source tree.12年前
LICENSEFinalize docs for 0.28年前
MANIFEST.in Add support for cython extensions in setup.py11年前
README.rstAdd ElectronBands.select_kinds method1个月前
TODO.rstcoverage5年前
pip_all.shInstall extra packages6个月前
pyproject.tomlUpdate abinit variable database, varpeq --> vpq2个月前
requirements-optional.txtRm abipy.gui1年前
requirements-panel.txtAdd oncv.py script3年前
requirements-tests.txtFix bug in Qha2dFlow.finalize3个月前
requirements.txtUpdate abinit variable database, varpeq --> vpq2个月前
setup.cfgSaving work3年前
setup.pyAdd plot examples for gpath3个月前
tasks.pyUpdate variable database2个月前

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