|
|
23e752f5d1
|
workin on numgrid
|
2020-03-25 09:48:58 +01:00 |
|
|
|
5ef788cbc9
|
pCCD and ppRPA
|
2020-03-24 12:28:56 +01:00 |
|
|
|
a8d26d6e36
|
numgrid test
|
2020-03-23 17:26:12 +01:00 |
|
|
|
002e653cbb
|
fix bug in eDFT
|
2020-03-23 08:53:19 +01:00 |
|
|
|
3c050ffe4f
|
Radovan fix numgrid
|
2020-03-22 15:33:49 +01:00 |
|
Radovan Bast
|
5b85c687a2
|
ignore src/eDFT/obj/*.o
|
2020-03-22 15:25:16 +01:00 |
|
|
|
941ab79dc1
|
numgrid
|
2020-03-21 16:31:39 +01:00 |
|
|
|
d0020765fc
|
moved Cx in parameters
|
2020-03-18 16:06:29 +01:00 |
|
|
|
bfd5131dae
|
LIM
|
2020-03-18 11:10:29 +01:00 |
|
|
|
404746ad04
|
LIM
|
2020-03-18 11:10:21 +01:00 |
|
|
|
2fdc2b2978
|
print energies
|
2020-03-18 07:29:54 +01:00 |
|
|
|
a5163dbbcb
|
Debug in progress
|
2020-03-17 22:39:04 +01:00 |
|
|
|
954e6d2a29
|
RMFL20 done
|
2020-03-17 19:35:00 +01:00 |
|
|
|
c7434afdc2
|
eLDA correlation potential under work
|
2020-03-17 11:50:11 +01:00 |
|
|
|
871f11ef40
|
eLDA correlation potential under work
|
2020-03-17 11:50:05 +01:00 |
|
|
|
52fe50f992
|
DD eLDA
|
2020-03-17 11:29:29 +01:00 |
|
|
|
ddc92cfd81
|
DD eLDA
|
2020-03-17 11:29:20 +01:00 |
|
|
|
0667c8c5fd
|
individual energies for lda correlation
|
2020-03-16 23:28:56 +01:00 |
|
|
|
b9d0e40407
|
more rm LZ
|
2020-03-16 22:10:42 +01:00 |
|
|
|
0a2211fa4c
|
rm LZ
|
2020-03-16 22:08:33 +01:00 |
|
|
|
f1b681b90a
|
commit b4 removing LZ routines
|
2020-03-16 22:08:04 +01:00 |
|
|
|
9bf424feab
|
rename routines
|
2020-03-16 10:48:54 +01:00 |
|
|
|
642a217564
|
restricted formalism
|
2020-03-15 22:37:40 +01:00 |
|
|
|
c947c6cf1d
|
restricted individual energies
|
2020-03-15 21:48:00 +01:00 |
|
|
|
444a9f7bf1
|
RVWN5
|
2020-03-15 20:33:18 +01:00 |
|
|
|
81ca41a2f6
|
restricted subroutines
|
2020-03-15 16:30:18 +01:00 |
|
|
|
3502e5729e
|
workin on restricted
|
2020-03-15 16:29:43 +01:00 |
|
|
|
b7474b4a60
|
R and U density matrices
|
2020-03-15 14:34:18 +01:00 |
|
|
|
f8bdfb1ceb
|
R and U density matrices
|
2020-03-15 14:33:53 +01:00 |
|
|
|
e14e8ac278
|
R or U
|
2020-03-15 08:24:15 +01:00 |
|
|
|
6cff7ad77a
|
starting modifying code for clotilde
|
2020-03-15 08:23:01 +01:00 |
|
|
|
0be0d5d8c3
|
revive eDFT code
|
2020-03-14 23:00:44 +01:00 |
|
|
|
349b5439dd
|
scan
|
2019-10-06 22:39:11 +02:00 |
|
|
|
c477b848ac
|
basis correction
|
2019-07-09 16:17:10 +02:00 |
|
|
|
ad3d77cda6
|
adding files
|
2019-05-07 22:57:57 +02:00 |
|
|
|
84e906db3e
|
DFT grid
|
2019-03-20 21:01:34 +01:00 |
|
|
|
b5a19f38ee
|
DFT grid
|
2019-03-20 21:01:09 +01:00 |
|
|
|
0405a53fa8
|
typos EOM
|
2019-03-20 21:00:05 +01:00 |
|
|
|
ca3a985d50
|
create utils
|
2019-03-20 13:38:42 +01:00 |
|
|
|
3ee4b0855a
|
xcDFT -> eDFT
|
2019-03-19 11:33:49 +01:00 |
|
