Loris Burth 0248f33cd2 wip : complex diis

2025-03-04 17:16:19 +01:00

..

AOtoMO

wip: complex_diis_extrapolation

2025-03-04 16:18:27 +01:00

CC

debug petros

2025-01-21 16:31:13 +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

rename phLR -> phRLR

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

HF

wip: complex_diis_extrapolation

2025-03-04 16:18:27 +01:00

LR

update xyz file

2025-02-10 20:10:23 +01:00

MP

remove RMP3

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

QuAcK

demo for Titou

2025-03-04 10:16:23 +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

wip : complex diis

2025-03-04 17:16:19 +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

demo for Titou

2025-03-04 10:16:23 +01:00

Makefile

Linux

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