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mirror of https://github.com/LCPQ/quantum_package synced 2024-06-26 07:02:14 +02:00
quantum_package/src/Determinants
Yann Garniron 48c91aeda7 Merge branch 'master' of https://github.com/garniron/quantum_package
Conflicts:
	plugins/MRCC_Utils/README.rst
	plugins/MRCC_Utils/mrcc_dress.irp.f
	src/Determinants/README.rst
	src/Determinants/davidson.irp.f
2015-10-26 08:31:44 +01:00
..
connected_to_ref.irp.f minilist primitive/tri par alpha en cours 2015-10-16 13:06:19 +02:00
create_excitations.irp.f Minor modiffs 2015-07-15 14:01:06 +02:00
davidson.irp.f Merge branch 'master' of https://github.com/garniron/quantum_package 2015-10-26 08:31:44 +01:00
density_matrix.irp.f Add all the mising file... 2015-04-20 18:42:52 +02:00
determinants_bitmasks.irp.f Add all the mising file... 2015-04-20 18:42:52 +02:00
determinants.irp.f Pull ok 2015-07-15 14:04:56 +02:00
diagonalize_CI_mono.irp.f Fixed bugs 2015-05-06 18:26:36 +02:00
diagonalize_CI_SC2.irp.f Merge with ao_normalized_ordered_.... 2015-05-04 19:05:28 +02:00
diagonalize_CI.irp.f Beginning the merge with qp old 2015-06-29 10:35:29 +02:00
excitations_utils.irp.f Add all the mising file... 2015-04-20 18:42:52 +02:00
EZFIO.cfg Fix bug with 2 provider for mo_label 2015-06-25 10:20:36 +02:00
filter_connected.irp.f tri alpha/beta simple pour filter_connected_davidson 2015-10-22 11:10:20 +02:00
guess_doublet.irp.f Add all the mising file... 2015-04-20 18:42:52 +02:00
guess_singlet.irp.f Add all the mising file... 2015-04-20 18:42:52 +02:00
guess_triplet.irp.f Add all the mising file... 2015-04-20 18:42:52 +02:00
H_apply.irp.f Removed print 2015-05-06 17:02:59 +02:00
H_apply.template.f connected_to_ref 2015-10-25 21:23:12 +01:00
NEEDED_CHILDREN_MODULES Fix a dependancy when disosiate bielec_integral and mono_elec 2015-05-12 11:55:52 +02:00
occ_pattern.irp.f Accelerated MRCC 2015-07-29 18:27:07 +02:00
options.irp.f Add all the mising file... 2015-04-20 18:42:52 +02:00
program_initial_determinants.irp.f Minor changes 2015-06-09 11:15:56 +02:00
psi_cas.irp.f MRCC(PT2) converges 2015-07-02 00:45:36 +02:00
README.rst Merge branch 'master' of https://github.com/garniron/quantum_package 2015-10-26 08:31:44 +01:00
ref_bitmask.irp.f Add all the mising file... 2015-04-20 18:42:52 +02:00
s2.irp.f Accelerated S^2 2015-07-14 01:06:28 +02:00
save_natorb.irp.f Add all the mising file... 2015-04-20 18:42:52 +02:00
SC2.irp.f Add all the mising file... 2015-04-20 18:42:52 +02:00
slater_rules.irp.f connected_to_ref 2015-10-25 21:23:12 +01:00
spindeterminants.ezfio_config Add all the mising file... 2015-04-20 18:42:52 +02:00
spindeterminants.irp.f Changed psi_svd into psi_bilinear 2015-07-30 16:05:28 +02:00
tree_dependency.png English 2015-10-06 15:33:11 +02:00
truncate_wf.irp.f Add all the mising file... 2015-04-20 18:42:52 +02:00
utils.irp.f Add all the mising file... 2015-04-20 18:42:52 +02:00