eginer 22241d5b33 Merge branch 'dev-stable' of https://github.com/QuantumPackage/qp2 into dev-stable

2024-05-07 21:07:33 +02:00

..

ao_many_one_e_ints

fixed bug for env_type = None

2024-01-17 19:23:24 +01:00

ao_tc_eff_map

hamiltonian -> jastrow

2024-01-15 19:02:05 +01:00

basis_correction

cas_ful -> cas_full

2023-11-11 16:13:23 +01:00

bi_ort_ints

working on the matrix elements both

2024-05-07 20:32:48 +02:00

bi_ortho_mos

saving olympe2 modif

2024-04-07 00:29:40 +02:00

casscf_tc_bi

Moved many modules in plugins/local for quicker installation

2023-11-07 10:27:34 +01:00

cipsi_tc_bi_ortho

it works with new routines for pt2 tc

2024-05-07 21:00:19 +02:00

fci_tc_bi

trying to speed up the PT2 in TC by transposing the array of tc integrals

2024-05-07 19:43:05 +02:00

jastrow

few modif

2024-02-23 23:51:03 +01:00

mo_localization

Begining to make some cleaning in TC

2024-04-25 19:48:17 +02:00

non_h_ints_mu

Merge branch 'dev-stable' into dev-stable

2024-05-07 01:59:26 +02:00

non_hermit_dav

TC-SCF CLEANED

2024-05-01 23:10:18 +02:00

normal_order_old

added local/normal_order_old/NEED

2024-05-01 19:03:21 +02:00

old_delta_tc_qmc

compiling after some cleaning

2024-05-06 18:58:12 +02:00

ortho_three_e_ints

TC SPRING CLEANING: BEGINNING

2024-05-01 20:25:01 +02:00

qmckl

Fixing compilation

2023-11-07 11:12:10 +01:00

slater_tc

it works with new routines for pt2 tc

2024-05-07 21:00:19 +02:00

slater_tc_no_opt

compiling after some cleaning

2024-05-06 18:58:12 +02:00

tc_bi_ortho

trying to speed up the PT2 in TC by transposing the array of tc integrals

2024-05-07 19:43:05 +02:00

tc_keywords

trying to speed up the PT2 in TC by transposing the array of tc integrals

2024-05-07 19:43:05 +02:00

tc_progs

added tc_progs

2024-05-07 18:27:09 +02:00

tc_scf

FIXED BUG IN OPTIM J_BH

2024-05-02 17:18:45 +02:00

tuto_plugins

mv tuto_plugins in local

2024-03-25 17:00:14 +01:00

.gitignore

Develop (#15)

2019-03-07 16:29:06 +01:00