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680f4cb0e2
|
debugging sf
|
2020-09-30 09:59:18 +02:00 |
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|
2a498658b3
|
major modification for makefiles
|
2020-09-30 00:10:57 +02:00 |
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|
2ea01fd77e
|
scaling N-centered
|
2020-09-29 11:47:18 +02:00 |
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c6769b0f1c
|
dipole and f OK
|
2020-09-28 23:19:26 +02:00 |
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c78f891d3c
|
dipole and f OK
|
2020-09-28 22:58:58 +02:00 |
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|
28d85ed204
|
unrestricted f
|
2020-09-28 22:24:02 +02:00 |
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0e9edb30d2
|
oscillator strength and dipole integrals
|
2020-09-28 21:25:25 +02:00 |
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|
435d44391d
|
clean up unrestricted code for one electron
|
2020-09-25 15:05:06 +02:00 |
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|
|
875b53b7d0
|
evUGW
|
2020-09-24 22:50:56 +02:00 |
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a611ee7442
|
spin flip
|
2020-09-24 16:39:15 +02:00 |
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ff58cd17c6
|
UCIS
|
2020-09-24 14:39:37 +02:00 |
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|
|
8910ead99f
|
big cleaning
|
2020-09-24 11:56:06 +02:00 |
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|
|
08f3567d20
|
sf-BSE
|
2020-09-23 22:48:54 +02:00 |
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|
2b1b2096c4
|
graph sol for UGW
|
2020-09-23 14:23:40 +02:00 |
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ce10bbaf56
|
URPA
|
2020-09-23 09:46:44 +02:00 |
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2b7f31a340
|
BSE and spin
|
2020-09-22 23:46:33 +02:00 |
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|
b8bf488a9a
|
spin conserved and spin flip
|
2020-09-22 23:08:47 +02:00 |
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|
8f5b1779de
|
UBSE
|
2020-09-22 22:14:08 +02:00 |
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|
2a6f83dbf9
|
UBSE
|
2020-09-22 22:13:51 +02:00 |
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|
|
282cbcb517
|
UG0W0 OK
|
2020-09-22 15:32:26 +02:00 |
|
|
|
1d3e156838
|
UGW under progress
|
2020-09-21 23:04:26 +02:00 |
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|
|
11949b84bc
|
update UGW
|
2020-09-21 16:54:38 +02:00 |
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|
|
26cec28a31
|
UMP2
|
2020-09-18 13:52:35 +02:00 |
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|
|
2142a13bda
|
update eDFT
|
2020-09-15 10:40:51 +02:00 |
|
|
|
91a0120eee
|
fix problem with individual energies
|
2020-07-08 10:55:03 +02:00 |
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|
|
936638cc17
|
fix another mismatch in options
|
2020-06-18 08:47:51 +02:00 |
|
|
|
aab7acc4c0
|
BSE add file
|
2020-06-17 22:46:38 +02:00 |
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|
|
a61fd351f9
|
fix option mismatch
|
2020-06-17 22:10:08 +02:00 |
|
|
|
6da5afae6d
|
BSE2 iterative
|
2020-06-17 14:32:37 +02:00 |
|
|
|
4569e15744
|
new options
|
2020-06-16 14:02:14 +02:00 |
|
|
|
9a2244bd9b
|
more clean up
|
2020-06-15 23:04:07 +02:00 |
|
|
|
69e8bdd49c
|
new options for dBSE
|
2020-06-14 21:20:01 +02:00 |
|
|
|
ddd1e79643
|
remove comments in ACFDT
|
2020-06-14 20:51:02 +02:00 |
|
|
|
f227247f42
|
evDyn
|
2020-06-14 15:09:33 +02:00 |
|
|
|
b823bbcac7
|
fix iteractive dynamical BSE
|
2020-06-14 13:18:56 +02:00 |
|
|
|
f7e90a9f99
|
spin in W
|
2020-06-14 13:04:16 +02:00 |
|
|
|
84e01bfcb6
|
-w
|
2020-06-11 15:36:16 +02:00 |
|
|
|
04d5f4a592
|
gitignore
|
2020-06-10 15:34:49 +02:00 |
|
|
|
b6bbeb3f3b
|
fix bug in BSE triplet
|
2020-06-09 21:24:37 +02:00 |
|
|
|
da8ef4fa5b
|
new examples
|
2020-06-07 09:59:36 +02:00 |
|
|
|
fdaf483399
|
fix bug
|
2020-06-06 21:34:39 +02:00 |
|
|
|
769f4e9221
|
(1)
|
2020-06-05 22:34:32 +02:00 |
|
|
|
986caedeac
|
clean dBSE code
|
2020-06-04 22:40:14 +02:00 |
|
|
|
2d02a4b694
|
new basis
|
2020-06-04 13:08:31 +02:00 |
|
|
|
e4ce9dd9ba
|
stop
|
2020-06-03 12:46:26 +02:00 |
|
|
|
8fd57515cc
|
bug fix evGF2
|
2020-06-03 12:24:38 +02:00 |
|
|
|
4b3bb88b84
|
clean up GF
|
2020-06-03 12:06:16 +02:00 |
|
|
|
a011b3dfde
|
fix TDA
|
2020-06-02 13:24:40 +02:00 |
|
|
|
862314e414
|
BSE2
|
2020-06-02 13:20:20 +02:00 |
|
|
|
434d5e9c52
|
BSE almost done
|
2020-06-01 22:01:53 +02:00 |
|
|
|
29294ef5a4
|
BSE almost done
|
2020-06-01 22:01:21 +02:00 |
|
|
|
b72a23fc98
|
BSE2
|
2020-06-01 17:30:02 +02:00 |
|
|
|
9a0c7bfac7
|
problem minus sign
|
2020-06-01 17:26:52 +02:00 |
|
|
|
96207d9c58
|
problem minus sign solved
|
2020-06-01 17:14:42 +02:00 |
|
|
|
503cd430ae
|
non dTDA
|
2020-06-01 11:36:50 +02:00 |
|
|
|
030435f90c
|
non dTDA
|
2020-06-01 11:35:17 +02:00 |
|
|
|
a02bebdd88
|
iterative dynamic correction for BSE
|
2020-05-21 16:13:52 +02:00 |
|
|
|
629a166e03
|
beyond TDA for dynamic BSE
|
2020-05-20 16:49:16 +02:00 |
|
|
|
0c6153de3f
|
beyond TDA for dynamic BSE
|
2020-05-20 16:46:07 +02:00 |
|
|
|
61832f1259
|
GW gap warning and antiresonnant term
|
2020-05-15 13:08:07 +02:00 |
|
|
|
54a938a909
|
switch to eDFT
|
2020-04-26 16:07:45 +02:00 |
|
|
|
f38c07a444
|
dynamic screening in BSE
|
2020-04-23 23:13:44 +02:00 |
|
|
|
01e9f785c2
|
dynamic screening in BSE
|
2020-04-23 23:13:15 +02:00 |
|
|
|
e855727d8a
|
dyn corr for BSE
|
2020-04-22 09:55:58 +02:00 |
|
|
|
a2c2eb32b5
|
dynamic correction
|
2020-04-22 00:39:52 +02:00 |
|
|
|
13b170fc2f
|
star implementation of CISD
|
2020-04-20 12:28:19 +02:00 |
|
|
|
2b0244e010
|
RS in GW
|
2020-04-16 17:02:01 +02:00 |
|
|
|
a0b8383971
|
correct bug in evGW
|
2020-04-15 09:34:41 +02:00 |
|
|
|
b5e4ded668
|
cleaning ppRPA
|
2020-04-15 08:53:02 +02:00 |
|
|
|
cfc910fb26
|
lr from Toto
|
2020-04-14 15:59:34 +02:00 |
|
|
|
5441aa845a
|
bug print
|
2020-04-13 23:05:19 +02:00 |
|
|
|
8433bf9281
|
bug print
|
2020-04-13 22:56:49 +02:00 |
|
|
|
57003acb75
|
faster orthogonalization in ppRPA
|
2020-04-13 20:13:38 +02:00 |
|
|
|
2f835304f7
|
evGT
|
2020-04-13 14:19:14 +02:00 |
|
|
|
26aa96f1e1
|
remove soG0T0
|
2020-04-13 11:35:32 +02:00 |
|
|
|
b96ea676fd
|
b4 removing soG0T0
|
2020-04-13 11:33:48 +02:00 |
|
|
|
4587d3ff5c
|
update stretched H2
|
2020-04-09 14:31:50 +02:00 |
|
|
|
192a6345de
|
GIC functional
|
2020-04-06 19:40:42 +02:00 |
|
|
|
3e72d87adf
|
starting implementing B88
|
2020-03-28 22:52:45 +01:00 |
|
|
|
59d798afc9
|
fix bug in print energy eDFT
|
2020-03-27 20:46:13 +01:00 |
|
|
|
7763d7d1a0
|
makefile
|
2020-03-27 09:04:56 +01:00 |
|
|
|
4983c8c16b
|
core in CC
|
2020-03-26 16:57:46 +01:00 |
|
|
|
fb012773cb
|
seg fault fix
|
2020-03-25 22:11:00 +01:00 |
|
|
|
f700c431d6
|
sort ppRPA
|
2020-03-25 21:10:21 +01:00 |
|
|
|
23e752f5d1
|
workin on numgrid
|
2020-03-25 09:48:58 +01:00 |
|
|
|
08a4d4e4e9
|
spinorbital G0T0 OK
|
2020-03-24 14:55:22 +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 |
|
|
|
6a0bf1f8ce
|
DIIS in CCD
|
2020-03-22 23:01:36 +01:00 |
|
|
|
a13ab94a52
|
FC in pCCD
|
2020-03-22 22:22:47 +01:00 |
|
|
|
f43cf3f4e4
|
debug pCCD
|
2020-03-22 15:20:42 +01:00 |
|
|
|
eee1a1c6b4
|
CCD variants
|
2020-03-21 22:50:43 +01:00 |
|
|
|
a985f27142
|
BSE in ppRPA
|
2020-03-21 21:09:48 +01:00 |
|
|
|
941ab79dc1
|
numgrid
|
2020-03-21 16:31:39 +01:00 |
|
|
|
97d5958add
|
GF clean up
|
2020-03-19 10:59:20 +01:00 |
|
|
|
5f75ec478b
|
GF clean up
|
2020-03-19 10:33:56 +01:00 |
|
|
|
bcbeba2a7c
|
GF clean up
|
2020-03-19 10:21:18 +01:00 |
|
|
|
0be0d5d8c3
|
revive eDFT code
|
2020-03-14 23:00:44 +01:00 |
|
|
|
6b7ebf8158
|
clean up ACFDT
|
2020-03-13 10:25:20 +01:00 |
|
|
|
150b669953
|
check BSE
|
2020-03-13 09:49:08 +01:00 |
|
