https://gitlab.com/januseriksen/pymbe
- HEAD
- refs/heads/bg_mrcc
- refs/heads/bg_pyscf
- refs/heads/bookkeeping
- refs/heads/cfour_casci
- refs/heads/change_phases
- refs/heads/dev
- refs/heads/dual_exp
- refs/heads/dynamic_orbs
- refs/heads/e_contrib_plot
- refs/heads/ecc_cfour
- refs/heads/energy_corr
- refs/heads/energy_est
- refs/heads/impr_get_dim
- refs/heads/impr_mpi_scheme
- refs/heads/impr_mpi_timings
- refs/heads/master
- refs/heads/miscellaneous
- refs/heads/mo_ints
- refs/heads/mp2
- refs/heads/mpi_energy
- refs/heads/mpi_improvements
- refs/heads/mpi_plot
- refs/heads/mpi_time
- refs/heads/natural_orbs
- refs/heads/new_bg_order
- refs/heads/new_data_struct
- refs/heads/new_orb_generator
- refs/heads/new_screen
- refs/heads/norm_dist_screen
- refs/heads/open_source
- refs/heads/orbital_screening
- refs/heads/qcscf
- refs/heads/remove_energy_corr
- refs/heads/restart_utils
- refs/heads/rm_orb_ent
- refs/heads/rm_timings
- refs/heads/screen_tuple
- refs/heads/shared_mem
- refs/heads/sparsity
- refs/heads/style_impro
- refs/merge-requests/1/head
- refs/merge-requests/10/head
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Sped up mbecc calculations with pyscf backend.
| File | Mode | Size |
|---|---|---|
| doc | ||
| pymbe | ||
| .gitignore | -rw-r--r-- | 100 bytes |
| .gitlab-ci.yml | -rw-r--r-- | 501 bytes |
| LICENSE | -rw-r--r-- | 1.1 KB |
| README.md | -rw-r--r-- | 7.1 KB |
