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13 Open 32 Closed
13 Open 32 Closed
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Issues list

Batched calculator over structures enhancement New feature or request wontfix This will not be worked on
#179 opened Feb 24, 2025 by frostedoyster
1
Calculators fail to torch.jit.load bug Something isn't working help wanted Extra attention is needed
#178 opened Feb 24, 2025 by frostedoyster
1
Implementation of SPME enhancement New feature or request
#174 opened Feb 20, 2025 by GardevoirX
@GardevoirX
Refactor GridSearchTuner for speeding up
#152 opened Jan 22, 2025 by GardevoirX
Implement algorithm for special periodic and a periodic systems enhancement New feature or request help wanted Extra attention is needed
#147 opened Jan 22, 2025 by PicoCentauri
1
Force test using finite differences tests Related to testing the code
#146 opened Jan 22, 2025 by PicoCentauri
@kvhuguenin
Update lr_from_k_sq Function to Handle k_sq → 0 Limit for Exponents > 3 enhancement New feature or request good first issue Good for newcomers
#144 opened Jan 17, 2025 by E-Rum
Charges in LODE (Question) question Further information is requested
#127 opened Dec 14, 2024 by atulcthakur
1
Convergence behavior of current interpolation schemes
#74 opened Oct 7, 2024 by GardevoirX
1
Confusing "parameter flow" for the calculators
#57 opened Sep 22, 2024 by ceriottm
@PicoCentauri
5
Sum rules (may?) have numerical errors for mesh interpolation orders > 3 bug Something isn't working
#56 opened Sep 22, 2024 by ceriottm
Accuracy of calculations depend strongly on rotational orientation bug Something isn't working
#52 opened Sep 18, 2024 by kvhuguenin
@kvhuguenin
Perform benchmarks of PMEPotential tests Related to testing the code
#17 opened Jul 10, 2024 by PicoCentauri
2
@sirmarcel
1
ProTip! Updated in the last three days: updated:>2025-03-06.