| .. |
|
ao_basis
|
Develop (#15)
|
2019-03-07 16:29:06 +01:00 |
|
ao_one_e_ints
|
Warnings in documentation
|
2019-01-29 17:09:08 +01:00 |
|
ao_two_e_erf_ints
|
Warnings in documentation
|
2019-01-29 17:09:08 +01:00 |
|
ao_two_e_ints
|
Warnings in documentation
|
2019-01-29 17:09:08 +01:00 |
|
aux_quantities
|
Folder -> directory
|
2019-01-29 23:10:00 +01:00 |
|
becke_numerical_grid
|
Develop (#15)
|
2019-03-07 16:29:06 +01:00 |
|
bitmask
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
cipsi
|
Develop (#15)
|
2019-03-07 16:29:06 +01:00 |
|
cis
|
Warnings in documentation
|
2019-01-29 17:09:08 +01:00 |
|
cisd
|
Folder -> directory
|
2019-01-29 23:10:00 +01:00 |
|
davidson
|
Develop (#10)
|
2019-02-22 19:19:58 +01:00 |
|
davidson_dressed
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
davidson_undressed
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
density_for_dft
|
Develop (#15)
|
2019-03-07 16:29:06 +01:00 |
|
determinants
|
fixed h_core energy for multistate
|
2019-03-08 16:14:43 +01:00 |
|
dft_keywords
|
Develop (#10)
|
2019-02-22 19:19:58 +01:00 |
|
dft_one_e
|
Develop (#15)
|
2019-03-07 16:29:06 +01:00 |
|
dft_utils_in_r
|
Develop (#10)
|
2019-02-22 19:19:58 +01:00 |
|
dft_utils_one_e
|
fixed h_core energy for multistate
|
2019-03-08 16:14:43 +01:00 |
|
dressing
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
dummy
|
Develop (#15)
|
2019-03-07 16:29:06 +01:00 |
|
electrons
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
ezfio_files
|
Develop (#10)
|
2019-02-22 19:19:58 +01:00 |
|
fci
|
Removed Core from qp_run
|
2019-03-13 14:44:21 +01:00 |
|
functionals
|
Develop (#15)
|
2019-03-07 16:29:06 +01:00 |
|
generators_cas
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
generators_full
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
hartree_fock
|
Develop (#10)
|
2019-02-22 19:19:58 +01:00 |
|
iterations
|
Develop (#10)
|
2019-02-22 19:19:58 +01:00 |
|
kohn_sham
|
Develop (#10)
|
2019-02-22 19:19:58 +01:00 |
|
kohn_sham_rs
|
Develop (#15)
|
2019-03-07 16:29:06 +01:00 |
|
mo_basis
|
Warnings in documentation
|
2019-01-29 17:09:08 +01:00 |
|
mo_guess
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
mo_one_e_ints
|
Mono -> Single
|
2019-02-04 23:51:09 +01:00 |
|
mo_two_e_erf_ints
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
mo_two_e_ints
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
mpi
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
nuclei
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
perturbation
|
Develop (#10)
|
2019-02-22 19:19:58 +01:00 |
|
pseudo
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
psiref_cas
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
psiref_utils
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
scf_utils
|
Develop (#15)
|
2019-03-07 16:29:06 +01:00 |
|
selectors_cassd
|
Warnings in documentation
|
2019-01-29 17:09:08 +01:00 |
|
selectors_full
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
selectors_utils
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
single_ref_method
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
tools
|
Develop (#15)
|
2019-03-07 16:29:06 +01:00 |
|
utils
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
zmq
|
Fixed davidson ZMQ termination
|
2019-02-05 18:44:03 +01:00 |
|
README.rst
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
