Abdallah Ammar
|
2c312cfc57
|
v0 of FeatherBench
|
2024-08-30 20:15:39 +02:00 |
|
AbdAmmar
|
eb6e0bcc02
|
added non-sym diag with biorthog condition
|
2024-08-30 19:10:54 +02:00 |
|
Abdallah Ammar
|
14e95287f6
|
OpenMP in ppLR_C for ispin = 1
|
2024-08-22 18:15:11 +02:00 |
|
Antoine Marie
|
38a83e4a1d
|
change one print in ppLR to allow for more decimals
|
2024-07-03 17:06:54 +02:00 |
|
|
|
19fd073ab9
|
fix bug in sort_ppRPA
|
2023-11-29 16:20:53 +01:00 |
|
|
|
f89d54c59b
|
correct big bug in HF search
|
2023-11-28 10:40:15 +01:00 |
|
3950
|
59789d873c
|
commit RG0W0
|
2023-11-27 10:02:33 +01:00 |
|
|
|
ebd00ae525
|
clean up print excitation energy
|
2023-11-22 10:07:23 +01:00 |
|
|
|
f30c5a9cb1
|
there is a bug in UG0W0
|
2023-11-20 21:34:08 +01:00 |
|
Pierre-Francois Loos
|
717138f363
|
starting cleaning up the unrestricted branch
|
2023-11-10 14:37:49 +01:00 |
|
|
|
83e5c9b07c
|
fix bug in UG0W0
|
2023-10-23 21:36:07 +02:00 |
|
|
|
68e6f02ae2
|
clean print excitations
|
2023-07-28 14:35:14 +02:00 |
|
|
|
4576ee06c3
|
rename LR routines
|
2023-07-28 14:14:35 +02:00 |
|
|
|
eee5f6bac8
|
rename UGW routines
|
2023-07-27 21:59:18 +02:00 |
|
|
|
866ed94153
|
add S2
|
2023-07-27 11:38:56 +02:00 |
|
|
|
d738e335ba
|
clean up
|
2023-07-27 11:38:38 +02:00 |
|
|
|
ed08450661
|
RPA module
|
2023-07-23 11:16:42 +02:00 |
|
|
|
c476b258ff
|
rename ULR routines
|
2023-07-21 13:04:29 +02:00 |
|
|
|
752edf29bf
|
cleanup LR
|
2023-07-20 22:01:11 +02:00 |
|
|
|
63ab549f6b
|
ppLR in GTpp and GW
|
2023-07-20 14:59:02 +02:00 |
|
|
|
11794c6625
|
ok with linear response
|
2023-07-20 12:37:54 +02:00 |
|
|
|
a2c38aa03b
|
remove COHSEX and modify phLR in GW routines
|
2023-07-18 14:59:18 +02:00 |
|
|
|
092a3f5e6d
|
OK with LR in RPA routines
|
2023-07-18 11:53:38 +02:00 |
|
|
|
266be65f2e
|
OK for ppLR
|
2023-07-18 09:59:25 +02:00 |
|
|
|
608a62dd6a
|
remove construction of matrices in ppRPA
|
2023-07-17 23:05:49 +02:00 |
|
|
|
91954dba8d
|
remove so GT routines
|
2023-07-17 22:31:28 +02:00 |
|
|
|
69faf94a4f
|
renaming again
|
2023-07-12 22:56:20 +02:00 |
|
|
|
76bc19504d
|
rename LR matrices
|
2023-07-12 22:37:04 +02:00 |
|
|
|
d207fb5173
|
renaming LR routines and fix bug in Z GW
|
2023-07-12 13:34:10 +02:00 |
|
Antoine Marie
|
545b5fb5e2
|
trying to fix diverging version
|
2023-06-30 16:47:26 +02:00 |
|
Antoine Marie
|
3a80069009
|
openMP for GW
|
2023-03-14 14:11:54 +01:00 |
|
|
|
1f2f6634bb
|
DIP- and DEA-EOM-CCD
|
2022-09-27 14:07:31 +02:00 |
|
|
|
68008e5738
|
working on ppBSE@GT
|
2022-09-09 21:48:50 +02:00 |
|
|
|
13ed518704
|
correct a few bugs in ppBSE
|
2022-08-17 16:53:59 +02:00 |
|
|
|
3acc640eee
|
excitation vectors for ppRPA and ppBSE
|
2022-08-17 15:52:13 +02:00 |
|
|
|
93564f350d
|
ppBSE@G0W0
|
2022-08-17 14:32:14 +02:00 |
|
|
|
86f501cb78
|
ppURPA
|
2022-02-15 13:51:18 +01:00 |
|
|
|
d922666173
|
UG0T0
|
2022-02-08 11:57:15 +01:00 |
|
|
|
a1e81ab7e5
|
clean BSE2
|
2022-02-01 11:42:31 +01:00 |
|
|
|
f7718c8ab1
|
clean linear response and static BSE2 kernel
|
2022-01-31 13:19:42 +01:00 |
|
|
|
0924ce1b3d
|
clean ppURPA
|
2022-01-29 11:47:35 +01:00 |
|
Pierre-Francois Loos
|
0f7cde9766
|
fix bug in eDFT rcond not initialized
|
2022-01-24 10:29:27 +01:00 |
|
|
|
978e8b6a2c
|
OK with BSE@GT
|
2022-01-09 23:13:17 +01:00 |
|
|
|
695b407335
|
OK with BSE@GT
|
2022-01-09 23:12:21 +01:00 |
|
|
|
41d160d1d6
|
fix sign in GM@GT
|
2022-01-07 15:14:00 +01:00 |
|
|
|
16066f96d8
|
rename routines in eDFT
|
2022-01-07 09:13:38 +01:00 |
|
|
|
3ecf94bbc9
|
debugging BSE@GT
|
2022-01-05 12:46:59 +01:00 |
|
|
|
c7d353de18
|
rename files in GT
|
2022-01-02 10:25:19 +01:00 |
|
|
|
97c274a4f1
|
rename files in GT
|
2022-01-02 10:24:30 +01:00 |
|
|
|
d6ee3863da
|
ppURPA
|
2021-12-31 12:49:13 +01:00 |
|
