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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-12 14:43:29 +01:00
qp2/src
2019-02-04 23:23:08 +01:00
..
ao_basis Warnings in documentation 2019-01-29 17:09:08 +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 Initial commit 2019-01-25 11:39:31 +01:00
bitmask Initial commit 2019-01-25 11:39:31 +01:00
cipsi Fixed Travis 2019-02-04 19:33:15 +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 Distributed only when Ndet > 100 000 2019-02-04 18:21:21 +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 Folder -> directory 2019-01-29 23:10:00 +01:00
determinants Distributed only when Ndet > 100 000 2019-02-04 18:21:21 +01:00
dft_keywords Initial commit 2019-01-25 11:39:31 +01:00
dft_utils_in_r Warnings in documentation 2019-01-29 17:09:08 +01:00
dft_utils_one_e Initial commit 2019-01-25 11:39:31 +01:00
dressing Initial commit 2019-01-25 11:39:31 +01:00
dummy Initial commit 2019-01-25 11:39:31 +01:00
electrons Initial commit 2019-01-25 11:39:31 +01:00
ezfio_files Initial commit 2019-01-25 11:39:31 +01:00
fci Fixed travis 2019-02-04 23:23:08 +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 Warnings in documentation 2019-01-29 17:09:08 +01:00
iterations Initial commit 2019-01-25 11:39:31 +01:00
kohn_sham Initial commit 2019-01-25 11:39:31 +01:00
kohn_sham_rs Initial commit 2019-01-25 11:39:31 +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 Initial commit 2019-01-25 11:39:31 +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 Removed SOP as default 2019-02-04 15:40:24 +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 Warnings in documentation 2019-01-29 17:09:08 +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 Folder -> directory 2019-01-29 23:10:00 +01:00
utils Initial commit 2019-01-25 11:39:31 +01:00
zmq Distributed only when Ndet > 100 000 2019-02-04 18:21:21 +01:00
README.rst Initial commit 2019-01-25 11:39:31 +01:00

==========================
The core modules of the QP
==========================