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12 Open 66 Closed
12 Open 66 Closed
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Issues list

formatting bot fails on exogeneous PRs formatting
#194 opened Sep 12, 2023 by eahenle
More robust bond sanity check enhancement New feature or request
#170 opened Aug 8, 2022 by eahenle
1
Add I/O formats enhancement New feature or request
#164 opened Jul 13, 2022 by eahenle
Bond assignment is not fast enough enhancement New feature or request
#163 opened Jul 13, 2022 by eahenle
4 tasks
1
docs issues documentation Improvements or additions to documentation
#158 opened Apr 13, 2022 by eahenle
4 tasks
geometry optimization enhancement New feature or request
#155 opened Apr 4, 2022 by eahenle
1
add topology info enhancement New feature or request
#154 opened Apr 4, 2022 by eahenle
write_bond_information: show periodic bonds
#100 opened Sep 14, 2021 by SimonEnsemble
@SimonEnsemble
1
view_crystal does not work when invoked via reexport bug Something isn't working
#98 opened Aug 17, 2021 by eahenle
1
CIF reader interprets whitespace lines as actual data bug Something isn't working
#195 opened Jan 29, 2020 by ahyork
@ahyork
modularize cif reader
#83 opened Dec 30, 2019 by SimonEnsemble
@eahenle @ahyork
1
descriptors
#73 opened May 18, 2018 by SimonEnsemble
@mtap-research
2
ProTip! Adding no:label will show everything without a label.