materialsproject / pymatgen

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any function to get site-specific xas from MP?

#1851 opened May 25, 2020 by davidcn21

VoronoiNN._extract_nn_info() ValueError when calculating max_weight

#1825 opened Apr 12, 2020 by CompRhys

Boltztrap2.py unit problem

#1815 opened Mar 30, 2020 by adam5353

POTCAR setup fails

#1813 opened Mar 29, 2020 by paulfons

site_matching_indices in KumagaiCorrection

#1790 opened Mar 7, 2020 by fermionian

POTCAR with symbol Si has metadata that does not match any VASP POTCAR known to pymatgen.

#1787 opened Mar 7, 2020 by hongyi-zhao

Error in reading PROCAR file with SOC

#1778 opened Feb 26, 2020 by rajibul645

Extracting the asymmetric single molecule from the CIF file

#1774 opened Feb 24, 2020 by misterblonde

PointGroupAnalyzer gets totally wrong point group

#1772 opened Feb 21, 2020 by fxcoudert

Improve input set warnings

#1761 opened Feb 8, 2020 by mkhorton

Improve error messages in MPRester for unknown materials or missing material properties

#1756 opened Feb 2, 2020 by paulneves77

About a min-pymatgen version including core classes

#1744 opened Jan 27, 2020 by gVallverdu

PhaseDiagram/PDPlotter may rotate endpoints when elements are not explicitly specified.

#1721 opened Dec 20, 2019 by JosephMontoya-TRI

W_pv not included in newer POTCAR versions

#1707 opened Dec 11, 2019 by JaGeo

Procar can not read in PROCAR with SOC effect?

#1686 opened Nov 27, 2019 by zrqustc

involve solid state hydroxide in pourbaix diagram

#1682 opened Nov 24, 2019 by yuxin-chang

non symmetric structure matching

#1665 opened Nov 13, 2019 by jmmshn

BandStructureSymmLine.apply_scissor missing appropriate tests

#1664 opened Nov 13, 2019 by mkhorton

installation improvement

#1662 opened Nov 13, 2019 by danpho

an adsorbatesitefinder bug

#1643 opened Oct 23, 2019 by MrLonelyZC88

Changing the VoronoiNN default tolerance value

#1638 opened Oct 17, 2019 by utf

Custom options in Bader Charge Analysis

#1609 opened Sep 30, 2019 by Nokimann

Spin down projection does not work

#1600 opened Sep 23, 2019 by nicodemosvarnava

pymatgen.io.vasp.outputs.Wavecar fails to read WAVECAR from gamma-only VASP run

#1585 opened Sep 10, 2019 by bernstei

Slow tests on pymatgen

#1553 opened Aug 15, 2019 by shyuep

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ProTip! What’s not been updated in a month: updated:<2020-04-28.