LCPQ/qp2
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Code Releases Activity
qp2/src
History
Anthony Scemama 9dd8e5b886 Merge branch 'dev' into dev-lcpq
2019-03-13 15:51:31 +01:00
..
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
bug fixed in dev-lct
2019-03-12 16:27:48 +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
added swap_mos.irp.f
2019-03-11 12:22:44 +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

README.rst 

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