Comments (1)
Done for 1.0
from fermi.jl.
Related Issues (20)
- Finite Difference Gradients
- Spin contamination
- Separate `get_scf_alg` into `get_uhf_alg` and `get_rhf_alg`
- Remove `molecule` from `IntegralHelper`
- Reformulate `BasisSet` fields HOT 1
- Orbitals objects are not within "best practices"
- Desireble feature: Projected CC amplitudes
- libcint: use Julia Artifact libcint_jll.jl HOT 1
- Drop `deps/build.jl` HOT 4
- One- and two-body integrals from Hartree-Fock HOT 1
- Non-concrete `Atom` types in `Molecule` HOT 3
- RHF with H2 errors HOT 7
- supporting AtomsBase HOT 3
- Molecular Hamiltonian as LinearMap? HOT 2
- IntegralHelper -- Generating Integrals
- TBLIS issue HOT 1
- energy difference HOT 1
- Question HOT 1
- OutOfMemoryError ? HOT 1
- criteria for oda damping value HOT 1
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from fermi.jl.