Pierre-Francois Loos ec676b7025 convergence issue?

2025-03-21 11:32:20 +01:00

..

AOtoMO

Incl sigma to change sign HFB

2025-02-04 14:34:31 +01:00

CC

comment unnecessary code

2025-02-22 21:48:55 +01:00

CI

rename phLR -> phRLR

2024-12-19 10:03:40 +01:00

cuda

optim A x D x A.T and A x Dinv x A.T on GPU

2024-11-30 00:38:32 +01:00

GF

rename phLR -> phRLR

2024-12-19 10:03:40 +01:00

GPU

working on dRPA (with no TDA) on GPU: saving

2024-11-29 13:58:52 +01:00

GT

rename phLR -> phRLR

2024-12-19 10:03:40 +01:00

GW

removing initial useless RPA

2025-03-21 09:48:10 +01:00

HF

eHF is intent_in

2025-02-12 22:04:18 +01:00

LR

update on Parquet

2025-03-17 14:56:56 +01:00

MP

remove RMP3

2024-09-10 17:08:16 +02:00

Parquet

convergence issue?

2025-03-21 11:32:20 +01:00

QuAcK

update on Parquet

2025-03-17 14:56:56 +01:00

RPA

rename phLR -> phRLR

2024-12-19 10:03:40 +01:00

test

workflow for testing

2024-11-15 17:22:07 +01:00

utils

rCCD for Petros

2025-01-21 15:01:59 +01:00

.gitignore

int directory

2020-10-13 20:59:03 +02:00

eDFT.tgz

remove eDFT

2023-07-03 14:41:46 +02:00

make_ninja.py

fixed small bug with -u flag

2024-11-29 21:33:57 +01:00

Makefile

Linux

2020-10-14 17:09:07 +02:00