Abdallah Ammar 37420d1207 added Hartree and EX terms with s8-sym

2024-12-10 19:14:33 +01:00

..

AOtoMO

added Hartree and EX terms with s8-sym

2024-12-10 19:14:33 +01:00

CC

working in CCGW

2024-09-16 15:59:16 +02:00

CI

RHF in nOrb representation has been tested

2024-09-01 13:50:29 +02:00

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

full ppBSE@GT and full dynBSE@GW in spin orbital and spatial orb

2024-11-04 17:00:51 +01:00

GPU

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

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

GT

remove warning in ufG0T0pp

2024-11-04 19:35:42 +01:00

GW

q -> p in RGW_self_energy

2024-11-05 07:56:10 +01:00

HF

added Hartree and EX terms with s8-sym

2024-12-10 19:14:33 +01:00

LR

opt memory access in Aph & Bph

2024-12-01 11:38:55 +01:00

MP

remove RMP3

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

QuAcK

Working on s8 rep of 2e-integrals

2024-12-07 02:20:05 +01:00

RPA

rm timing

2024-12-01 12:28:34 +01:00

test

workflow for testing

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

utils

added Hartree and EX terms with s8-sym

2024-12-10 19:14:33 +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