Anthony Scemama 7ceb8fdcca Finished r1

2024-07-03 18:24:13 +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

added sparse cholesky mu_of_r

2024-05-23 14:45:33 +02:00

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

updated default keywords in tc_keywords and ao_twoe_e_ints

2024-05-08 17:26:48 +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

gpu_nvidia

Finished r1

2024-07-03 18:24:13 +02:00

gpu_x86

Finished r1

2024-07-03 18:24:13 +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 pull request #37 from QuantumPackage/dev-stable

2024-06-26 08:27:56 +02:00

non_hermit_dav

TC-SCF CLEANED

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

normal_order_old

fixed forgotten stuffs in normal_order_old/NEED

2024-05-21 12:26:30 +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

spher_harm

removed stupid stuffs in spher_harm

2024-04-26 10:57:57 +02:00

tc_bi_ortho

removed prints in plugins/local/tc_bi_ortho/tc_h_eigvectors.irp.f

2024-05-22 17:32:56 +02:00

tc_int

Working on TC ints. Not well tested

2024-06-26 17:55:56 +02:00

tc_keywords

removed stupid print in tc_keywords/EZFIO.cfg

2024-05-23 10:02:46 +02:00

tc_progs

minor modifs

2024-05-21 13:01:48 +02:00

tc_scf

minor modifs

2024-05-21 13:01:48 +02:00

tuto_plugins

fixed a bug in cholesk_ao_transp

2024-05-15 15:41:35 +02:00

.gitignore

Develop (#15)

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