Comments (1)
In my next commit, updated PsF and PsOH tests with density and orbitals plots
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Related Issues (20)
- Remove unused HF program files
- Parallelize interspecies integral transformation
- Natural orbitals for MP2
- Fix DIIS
- Positron annihilation lifetimes
- Diagonal born oppenheimer correction
- When should we use species%symbol and species%name? HOT 1
- ep correlation is not evaluated if basis set centers are not equal
- Allow two calculations with custom basis sets to run simultaneously
- Error during installation in Fedora 40. Need help. HOT 1
- More examples HOT 3
- Positive muons, examples HOT 1
- Add a stop in wrong NOCI jobs
- SCF Bug HOT 3
- Frozen core bug with integralsTransformationMethod E
- Improve printing of PT3 terms
- Issue with DD-CISD HOT 7
- Add stop when disk space runs out HOT 1
- Alternative for auxilary indexes or <ab||ij> elements HOT 4
- Fix the single vs double integer precision mess in the code
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