| Copyright | Phillip Seeber 2024 |
|---|---|
| License | BSD-3-Clause |
| Maintainer | phillip.seeber@uni-jena.de |
| Stability | experimental |
| Portability | POSIX |
| Safe Haskell | Safe-Inferred |
| Language | GHC2021 |
TREXIO.HighLevel
Description
Documentation
deleteState :: forall m. MonadIO m => Trexio -> m () Source #
deleteNucleus :: forall m. MonadIO m => Trexio -> m () Source #
writeMo2eIntEriLrCholesky :: forall m. MonadIO m => Trexio -> CooArray U Ix3 Double -> m () Source #
deleteMo2eInt :: forall m. MonadIO m => Trexio -> m () Source #
deleteMo1eInt :: forall m. MonadIO m => Trexio -> m () Source #
deleteMetadata :: forall m. MonadIO m => Trexio -> m () Source #
deleteJastrow :: forall m. MonadIO m => Trexio -> m () Source #
deleteGrid :: forall m. MonadIO m => Trexio -> m () Source #
deleteElectron :: forall m. MonadIO m => Trexio -> m () Source #
deleteDeterminant :: forall m. MonadIO m => Trexio -> m () Source #
deleteCell :: forall m. MonadIO m => Trexio -> m () Source #
deleteBasis :: forall m. MonadIO m => Trexio -> m () Source #
writeAo2eIntEriLrCholesky :: forall m. MonadIO m => Trexio -> CooArray U Ix3 Double -> m () Source #
deleteAo2eInt :: forall m. MonadIO m => Trexio -> m () Source #
deleteAo1eInt :: forall m. MonadIO m => Trexio -> m () Source #
writeAmplitudeTripleExp :: forall m. MonadIO m => Trexio -> CooArray U (IxN 6) Double -> m () Source #
writeAmplitudeQuadrupleExp :: forall m. MonadIO m => Trexio -> CooArray U (IxN 8) Double -> m () Source #
readAmplitudeQuadrupleExp :: forall m. MonadIO m => Trexio -> m (CooArray U (IxN 8) Double) Source #
writeAmplitudeQuadruple :: forall m. MonadIO m => Trexio -> CooArray U (IxN 8) Double -> m () Source #
deleteAmplitude :: forall m. MonadIO m => Trexio -> m () Source #