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Issues list

Splitting ModelSystem and Cell question Further information is requested
#159 opened Dec 13, 2024 by ndaelman-hu
1
Symmetry, Group Theory, and PBC functionalities for positions
#158 opened Dec 13, 2024 by JFRudzinski 1.0.0
add info about symmetrization method + provenance of coordinates
#156 opened Dec 6, 2024 by JFRudzinski 1.0.0
3
relativistic Hamiltonians
#155 opened Dec 6, 2024 by JFRudzinski 1.0.0
add feedback by Francisco Delesma in GW schema
#153 opened Dec 6, 2024 by JFRudzinski 1.0.0
How to handle inconsistent data
#151 opened Dec 6, 2024 by JFRudzinski 1.0.0
Generalize 'model_system'
#149 opened Dec 3, 2024 by Bernadette-Mohr 1.0.0
1
PhysicalProperty rank checks broken bug Something isn't working duplicate This issue or pull request already exists question Further information is requested
#143 opened Oct 15, 2024 by ndaelman-hu 1.0.0
@ndaelman-hu
9
Module logger improvement/fix Improvement or fix of a previous feature question Further information is requested
#141 opened Sep 30, 2024 by JosePizarro3 1.0.0
@JosePizarro3
7
Add IntegrationGrid settings new feature New feature or request
#137 opened Sep 27, 2024 by EBB2675 1.0.0
@EBB2675
8
Add Hartree Fock new feature New feature or request
#133 opened Sep 25, 2024 by EBB2675 1.0.0
@EBB2675
Add mkdocstrings to docu documentation Improvements or additions to documentation
#131 opened Sep 25, 2024 by JosePizarro3 1.0.0
1
@JosePizarro3
Add AtomCenteredBasisSet and AtomCenteredFunction to basis_set.py new feature New feature or request
#130 opened Sep 25, 2024 by EBB2675 1.0.0
1
@EBB2675
2
Minor fixes bug Something isn't working
#126 opened Sep 23, 2024 by JosePizarro3
5 of 8 tasks
1.0.0
@JosePizarro3
4
Issues with DFT XC extraction bug Something isn't working
#115 opened Sep 11, 2024 by JosePizarro3 1.0.0
5
Add Force Field Schema
#113 opened Sep 10, 2024 by JFRudzinski 1.0.0
1
Using HDF5Dataset for Greens functions properties improvement/fix Improvement or fix of a previous feature
#110 opened Aug 27, 2024 by JosePizarro3 1.0.0
@JosePizarro3
Variables not included for properties when class is initialized in parent normalization bug Something isn't working question Further information is requested
#108 opened Aug 16, 2024 by JFRudzinski
4
Add Hamiltonian components to the ModelMethod new feature New feature or request question Further information is requested
#105 opened Aug 9, 2024 by ndaelman-hu 1.0.0
@ndaelman-hu
3
Schema for magnetic symmetry groups improvement/fix Improvement or fix of a previous feature
#104 opened Jul 22, 2024 by JosePizarro3
1
Simmetry class improvement good first issue Good for newcomers improvement/fix Improvement or fix of a previous feature
#103 opened Jul 19, 2024 by aalbino2
10
Moving simulation workflow definitions to this repo new feature New feature or request
#100 opened Jul 15, 2024 by JosePizarro3 1.0.0
1
@JosePizarro3
9
Implement HDF5datasets for potentially large quantities improvement/fix Improvement or fix of a previous feature
#86 opened Jun 12, 2024 by JFRudzinski 1.0.0
@JFRudzinski
Adding category to physical properties improvement/fix Improvement or fix of a previous feature
#85 opened Jun 8, 2024 by JosePizarro3
1
Where does dos_integrator.py go? new feature New feature or request question Further information is requested
#80 opened May 29, 2024 by JosePizarro3 1.0.0
@ndaelman-hu
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