graci - 1.3.0

Fortran HDF5 dependency removed.

Selected CI within the reference space added

- Fortran
Published by spneville 9 months ago

graci -

New DFT/MRCI Hamiltonians, bug fixes.

- Fortran
Published by spneville over 2 years ago

graci - graci_v1.1.0

Various bug fixes plus some new capabilities:

(1) Dyson orbitals

(2) Improved diabatisation within the DFT/MRCI(2) framework

- Fortran
Published by spneville about 3 years ago

graci - graci_v1.0.0

- Fortran
Published by spneville over 3 years ago