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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-06-01 10:15:18 +02:00
qp2/src/csf
2023-02-02 14:52:21 +01:00
..
cfgCI_interface.f90 Working on LAPACK gramSchmidt. Not working with naive dgeqrf. 2022-07-09 09:00:29 +02:00
cfgCI_utils.c Merge branch 'dev' into csf_verified 2022-11-23 12:13:44 +01:00
configuration_CI_sigma_helpers.irp.f fix csf 2023-01-02 09:28:42 +01:00
configuration_CI_sigma_helpers.org Added davidson without S2 2021-02-17 00:46:58 +01:00
configurations.irp.f Removed debug print. 2022-12-19 13:51:55 +01:00
connected_to_ref.irp.f Fix gfortran10 problem #153 2021-04-19 23:57:28 +02:00
conversion.irp.f Looks like CIS is working. 2022-12-16 13:29:59 +01:00
create_excitations.irp.f Working on frozen core for CFG-CI. 2022-06-17 11:05:27 +02:00
NEED Added davidson without S2 2021-02-17 00:46:58 +01:00
obtain_I_foralpha.irp.f Fixed bugs in obtain I. 2022-12-19 13:54:34 +01:00
sigma_vector.irp.f Changes Manus 2023-02-02 14:52:21 +01:00
tree_utils.c Triplet seems to be working. Doublet needs work. 2022-09-14 15:07:34 +02:00
tree_utils.h Working on LAPACK gramSchmidt. Not working with naive dgeqrf. 2022-07-09 09:00:29 +02:00