Pierre-Francois Loos f4e5baa8dc Merge branch 'master' of github.com:pfloos/QuAcK

2025-04-14 15:27:54 +02:00

..

AOtoMO

clean up in AOtoMO

2025-04-14 15:27:47 +02:00

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

correct unwanted changeé

2025-03-31 16:21:52 +02:00

GW

proper printing routine for 1b parquet

2025-03-31 21:31:59 +02:00

HF

eHF is intent_in

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

LR

speedup phGLR and G_screened_int

2025-04-02 11:35:33 +02:00

MP

remove RMP3

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

Parquet

trying to solve problem

2025-04-05 17:29:13 +02:00

QuAcK

diis options in parquet

2025-04-02 14:40:00 +02:00

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

remove eomgw

2025-03-26 21:14:56 +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