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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-07-23 02:57:24 +02:00
qp2/src
2019-01-25 11:39:31 +01:00
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ao_basis Initial commit 2019-01-25 11:39:31 +01:00
ao_one_e_ints Initial commit 2019-01-25 11:39:31 +01:00
ao_two_e_erf_ints Initial commit 2019-01-25 11:39:31 +01:00
ao_two_e_ints Initial commit 2019-01-25 11:39:31 +01:00
aux_quantities Initial commit 2019-01-25 11:39:31 +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 Initial commit 2019-01-25 11:39:31 +01:00
cis Initial commit 2019-01-25 11:39:31 +01:00
cisd Initial commit 2019-01-25 11:39:31 +01:00
davidson Initial commit 2019-01-25 11:39:31 +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 Initial commit 2019-01-25 11:39:31 +01:00
determinants Initial commit 2019-01-25 11:39:31 +01:00
dft_keywords Initial commit 2019-01-25 11:39:31 +01:00
dft_utils_in_r Initial commit 2019-01-25 11:39:31 +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 Initial commit 2019-01-25 11:39:31 +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 Initial commit 2019-01-25 11:39:31 +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 Initial commit 2019-01-25 11:39:31 +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 Initial commit 2019-01-25 11:39:31 +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 Initial commit 2019-01-25 11:39:31 +01:00
selectors_cassd Initial commit 2019-01-25 11:39:31 +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 Initial commit 2019-01-25 11:39:31 +01:00
utils Initial commit 2019-01-25 11:39:31 +01:00
zmq Initial commit 2019-01-25 11:39:31 +01:00
README.rst Initial commit 2019-01-25 11:39:31 +01:00

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