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32 Open 63 Closed
32 Open 63 Closed
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Issues list

fix docstring
#221 opened Jun 9, 2023 by kjappelbaum
register checkers with metaclasses
#220 opened Dec 23, 2022 by kjappelbaum
flag suspicious bond-distance deviations enhancement New feature or request
#219 opened Nov 24, 2022 by kjappelbaum
Tracking manual validation
#216 opened Nov 2, 2022 by kjappelbaum
6
Check for interpenetration
#215 opened Nov 2, 2022 by kjappelbaum
Don't flag undercoordinated C in RSM3287
#214 opened Nov 2, 2022 by kjappelbaum
Generalize geometrically exposed to all metal (perhaps even to all elements except for H, X)
#213 opened Oct 20, 2022 by kjappelbaum
Add a check for ring
#212 opened Oct 20, 2022 by kjappelbaum
Make -ha flag for zeopp optional
#211 opened Oct 19, 2022 by kjappelbaum
Can we get the relevant radii from element-coder to reduce duplication?
#210 opened Oct 19, 2022 by kjappelbaum
Can OMS check be a BaseIndexCheck?
#209 opened Oct 19, 2022 by kjappelbaum
Can we refactor out the from_mofchecker classmethods?
#208 opened Oct 19, 2022 by kjappelbaum
Replace database with JSON, parquet or some other more transferable format
#207 opened Oct 19, 2022 by kjappelbaum
write a JOSS article?
#204 opened Oct 19, 2022 by kjappelbaum
CLI complains about bridges
#195 opened Jul 1, 2022 by kjappelbaum
2
Linear N-N bridging units in linkers are flagged as undercoordinated
#165 opened Sep 9, 2021 by Andrew-S-Rosen
1
implement a check for presence of periodic system
#158 opened Aug 12, 2021 by kjappelbaum
1
symmetry hash db does not match HKUST bug Something isn't working
#151 opened Jul 5, 2021 by kjappelbaum
make zeo++ and eqeq checks optional enhancement New feature or request
#148 opened Jul 4, 2021 by kjappelbaum
@kjappelbaum
undercoordinated N check is a bit to harsh on COFs bug Something isn't working
#146 opened Jul 2, 2021 by kjappelbaum
@kjappelbaum
1
macOS python 3.7 fails
#145 opened Jul 2, 2021 by kjappelbaum
@kjappelbaum
mofchecker instatiation already requires creating graph enhancement New feature or request
#144 opened Jul 2, 2021 by ltalirz
@kjappelbaum
5
test suite too slow
#133 opened Jun 25, 2021 by kjappelbaum
2
Two similar COF structures reported as identical bug Something isn't working
#130 opened Jun 17, 2021 by danieleongari
@kjappelbaum
2
fails for deuterium bug Something isn't working
#115 opened Mar 24, 2021 by kjappelbaum
1
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