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30 Open 32 Closed
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Issues list

Add IntegrationGrid settings new feature New feature or request
#137 opened Sep 27, 2024 by EBB2675
@EBB2675
Add some methods for the cell new feature New feature or request
#136 opened Sep 27, 2024 by JosePizarro3
1
2
Add Hartree Fock new feature New feature or request
#133 opened Sep 25, 2024 by EBB2675
@EBB2675
Add mkdocstrings to docu documentation Improvements or additions to documentation
#131 opened Sep 25, 2024 by JosePizarro3
1
@JosePizarro3
Add AtomCenteredBasisSet and AtomCenteredFunction to basis_set.py new feature New feature or request
#130 opened Sep 25, 2024 by EBB2675
1
@EBB2675
1
Physical property initliazation
#129 opened Sep 24, 2024 by ladinesa
8
Minor fixes bug Something isn't working
#126 opened Sep 23, 2024 by JosePizarro3
5 of 8 tasks
@JosePizarro3
4
Issues with DFT XC extraction bug Something isn't working
#115 opened Sep 11, 2024 by JosePizarro3
5
Add Force Field Schema
#113 opened Sep 10, 2024 by JFRudzinski 0.1.0
1
Using HDF5Dataset for Greens functions properties improvement/fix Improvement or fix of a previous feature
#110 opened Aug 27, 2024 by JosePizarro3 0.1.0
@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 0.1.0
@ndaelman-hu
2
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 0.1.0
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 0.1.0
@JFRudzinski
Adding category to physical properties improvement/fix Improvement or fix of a previous feature
#85 opened Jun 8, 2024 by JosePizarro3
Where does dos_integrator.py go? new feature New feature or request question Further information is requested
#80 opened May 29, 2024 by JosePizarro3 0.1.0
@ndaelman-hu
Add SpectralFunction property new feature New feature or request
#79 opened May 29, 2024 by JosePizarro3
@JosePizarro3
Add FermiSurface property improvement/fix Improvement or fix of a previous feature
#78 opened May 29, 2024 by JosePizarro3
@JosePizarro3
3
Fix the normalization in spectral profile module with new BandStructure schema improvement/fix Improvement or fix of a previous feature
#77 opened May 29, 2024 by JosePizarro3 0.1.0
@JosePizarro3
Extract electronic properties from HoppingMatrix new feature New feature or request
#62 opened Apr 30, 2024 by JosePizarro3 0.1.0
@JosePizarro3
Add Thermodynamics Output new feature New feature or request sprint Issue associated with a sprint
#47 opened Apr 10, 2024 by JFRudzinski
1
@JFRudzinski
Add MD relevant outputs new feature New feature or request sprint Issue associated with a sprint
#28 opened Apr 2, 2024 by JFRudzinski
1
@JFRudzinski
Add post-HF methods new feature New feature or request
#26 opened Mar 26, 2024 by ndaelman-hu 0.1.0
@ndaelman-hu
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