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15 Open 21 Closed
15 Open 21 Closed
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Issues list

criteria for oda damping value
#142 opened May 4, 2024 by thudjx
1
OutOfMemoryError ?
#140 opened Nov 16, 2023 by Nick-Mul
1
Question good first issue Good for newcomers New Implementation New implementation of a method
#138 opened May 22, 2023 by Nick-Mul
1
energy difference enhancement New feature or request
#136 opened Feb 8, 2023 by maartenvd
1
TBLIS issue
#132 opened Sep 3, 2022 by MarkoHorbatsch
1
IntegralHelper -- Generating Integrals
#126 opened May 23, 2022 by gustavojra
Molecular Hamiltonian as LinearMap?
#121 opened Apr 26, 2022 by msmerlak
2
supporting AtomsBase
#120 opened Mar 25, 2022 by rkurchin
3
RHF with H2 errors good first issue Good for newcomers HartreeFock concerning HF methods
#119 opened Jan 21, 2022 by mtfishman
7
Non-concrete Atom types in Molecule
#118 opened Jan 21, 2022 by thchr
3
Desireble feature: Projected CC amplitudes CoupledCluster Coupled cluster related issues
#106 opened Sep 7, 2021 by gustavojra
Orbitals objects are not within "best practices" enhancement New feature or request
#105 opened Aug 30, 2021 by gustavojra
Remove molecule from IntegralHelper enhancement New feature or request
#103 opened Aug 9, 2021 by gustavojra 1.0
Spin contamination enhancement New feature or request good first issue Good for newcomers HartreeFock concerning HF methods
#101 opened Aug 8, 2021 by gustavojra
Finite Difference Gradients Gradients Issues concerning force gradients
#100 opened Aug 8, 2021 by gustavojra
@gustavojra
ProTip! Adding no:label will show everything without a label.