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Issues list

Link Website's API to GitHub's Source Code
#250 by FarnazH was closed May 13, 2024
@Ali-Tehrani
1
Angular Grid Docstring Formula
#232 by FarnazH was closed Feb 1, 2024
3
Fix DeprecationWarning and PytestRemovedIn8Warning
#208 by FarnazH was closed Jan 31, 2024
1
Construct and export cube files
#204 by marco-2023 was closed Jan 5, 2024
@marco-2023
3
Molecular dipole moment uses incorrect origin?
#188 by PaulWAyers was closed Sep 14, 2023
LinearInfiniteRTransform behaviour has memory
#185 by marco-2023 was closed Sep 11, 2023
@Ali-Tehrani
3
Python 3.6 installation problems
#175 by Ali-Tehrani was closed Aug 17, 2023
1
ImportError: cannot import name 'path' from 'importlib_resources'
#173 by yingxingcheng was closed Aug 3, 2023
1
Document Negative Weights and other Angular Grid Peculiarities
#158 by PaulWAyers was closed Jun 20, 2023
@Ali-Tehrani @marco-2023
8
Spherical Designs
#154 by PaulWAyers was closed May 4, 2023
1
Dump Grid Functionality
#153 by PaulWAyers was closed May 4, 2023
Cannot use outside of grid directory
#151 by khuddzu was closed Aug 11, 2022
5
18 point Lebedev rule
#148 by PaulWAyers was closed Jun 20, 2023
@Ali-Tehrani @PaulWAyers
2
Generalize HORTON transform for all grids
#143 by FarnazH was closed Jun 14, 2023
@Ali-Tehrani
1
Error for some onedgrid/transform combinations bug Something isn't working
#132 by leila-pujal was closed May 17, 2022 release
@tczorro @leila-pujal
1
Turn generate_lebedev_grid into AngularGrid
#127 by tczorro was closed Jul 12, 2021
@tczorro
Change rotate in Molgrid to a default seed for proper rotation
#126 by tczorro was closed Jul 16, 2021
@tczorro
Error when trying to use MultiExpTF transformation bug Something isn't working
#125 by leila-pujal was closed May 12, 2022 release
@rayhe88 @leila-pujal
OneDGrid RectangleRuleSine weight bug bug Something isn't working
#120 by tczorro was closed May 4, 2023 release
@FarnazH @rayhe88
3
Change 1-D grid functions to classes
#118 by FarnazH was closed Jul 12, 2021 release
@tczorro
4
Implement Standard Pruned Grid enhancement New feature or request
#112 by FarnazH was closed Nov 17, 2023 release
@Ali-Tehrani @leila-pujal
14
Negative Radial Grid Points
#101 by FarnazH was closed Aug 27, 2020
1
BeckeWeights.generate_weights should raise an exception when it tries to use Nan radii
#100 by tovrstra was closed May 17, 2022 release
@tczorro
2
Rename subgrid to localgrid enhancement New feature or request
#93 by tovrstra was closed Aug 12, 2020
1
@tovrstra
preloading can be made a bit more efficient
#67 by tovrstra was closed Jun 17, 2021 release
1
ProTip! Exclude everything labeled bug with -label:bug.