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25 Open 69 Closed
25 Open 69 Closed
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Issues list

deprecated DataFrame.ix in molecule.py (line 68) Bug Usage is unexpected or incorrect Need more info More information is needed from OP
#283 opened Feb 8, 2024 by adamphil
2
Failing build
#279 opened Mar 12, 2023 by herbertludowieg
1
Find values in Gaussian FChk and ADF TAPE21
#278 opened Feb 2, 2023 by herbertludowieg
Failing widgets tests Bug Usage is unexpected or incorrect In progress Currently being worked on
#276 opened Jan 27, 2023 by herbertludowieg
@herbertludowieg
Set up code security scanning
#264 opened Sep 1, 2022 by avmarchenko
Deprecation design In progress Currently being worked on
#252 opened Dec 7, 2021 by avmarchenko
@avmarchenko
Address the dependabot alerts
#238 opened Nov 6, 2021 by avmarchenko
CICD Config design Enhancement Extend an existing feature In progress Currently being worked on
#231 opened Nov 2, 2021 by tjduigna
2
Add atomic index column to atom tables Enhancement Extend an existing feature
#211 opened Nov 6, 2020 by herbertludowieg
1
Features to atom_two Enhancement Extend an existing feature
#205 opened Oct 26, 2020 by herbertludowieg
1
1
JS Rewrite Visualizations Feature requests related to visualization functionality
#192 opened Jul 5, 2020 by tjduigna
@tjduigna
Generalized method for adding tensors to display Enhancement Extend an existing feature Visualizations Feature requests related to visualization functionality
#158 opened May 29, 2019 by herbertludowieg
GUI throws ValueError Bug Usage is unexpected or incorrect Visualizations Feature requests related to visualization functionality
#153 opened Apr 20, 2019 by tjduigna
2
Implementation of the universal force field New feature Brand new feature requests
#149 opened Mar 22, 2019 by avmarchenko
2
Orbital labeling on Universe Widget Enhancement Extend an existing feature
#143 opened Feb 26, 2019 by herbertludowieg
@herbertludowieg
NWChem input Enhancement Extend an existing feature Generators Feature requests related to generating input files
#142 opened Feb 25, 2019 by herbertludowieg
Logging Easy Marker for new contributors
#139 opened Feb 3, 2019 by avmarchenko
1
Different behavior for neighbors.periodic_nearest_neighbors_by_atom() and neighbors.periodic_nearest_neighbors_by_atom_large() Need more info More information is needed from OP
#133 opened Dec 17, 2018 by adamphil
2
Centralized quantum-code input generator and output reader Needs design Feature request that needs thought
#132 opened Dec 4, 2018 by herbertludowieg
1
Compute molecule center of mass for periodic systems Enhancement Extend an existing feature
#121 opened May 22, 2018 by avmarchenko
Memory check for adding molecular orbitals Easy Marker for new contributors
#115 opened May 3, 2018 by avmarchenko
Unit cells are not fully supported Enhancement Extend an existing feature Visualizations Feature requests related to visualization functionality
#114 opened May 2, 2018 by avmarchenko
Garbage collecting fields Bug Usage is unexpected or incorrect
#111 opened Apr 27, 2018 by tjduigna
Robust electronic structure visualization Needs design Feature request that needs thought
#95 opened Feb 14, 2018 by tjduigna
Support for system creation Enhancement Extend an existing feature
#48 opened Apr 28, 2016 by avmarchenko
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