|
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 |
|
|
f7e90a9f99
|
spin in W
|
2020-06-14 13:04:16 +02:00 |
|
|
84e01bfcb6
|
-w
|
2020-06-11 15:36:16 +02:00 |
|
|
b6bbeb3f3b
|
fix bug in BSE triplet
|
2020-06-09 21:24:37 +02:00 |
|
|
fdaf483399
|
fix bug
|
2020-06-06 21:34:39 +02:00 |
|
|
d473dd79fa
|
BSE2
|
2020-06-06 08:48:04 +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 |
|
|
ea78befb4f
|
BSE2 debug done
|
2020-06-02 22:36:56 +02:00 |
|
|
29294ef5a4
|
BSE almost done
|
2020-06-01 22:01:21 +02:00 |
|
|
b72a23fc98
|
BSE2
|
2020-06-01 17:30:02 +02:00 |
|
|
96207d9c58
|
problem minus sign solved
|
2020-06-01 17:14:42 +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 |
|
|
431eab634d
|
saving eDFT
|
2020-05-05 16:45:10 +02:00 |
|
|
d91631f73f
|
Done with 3st ensemble
|
2020-04-27 23:04:00 +02:00 |
|
|
2ce6b12854
|
Three-state extension and MOM
|
2020-04-26 23:17:27 +02:00 |
|
|
54a938a909
|
switch to eDFT
|
2020-04-26 16:07:45 +02:00 |
|
|
01e9f785c2
|
dynamic screening in BSE
|
2020-04-23 23:13:15 +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 |
|
|
b96ea676fd
|
b4 removing soG0T0
|
2020-04-13 11:33:48 +02:00 |
|
|
ca2186bc6f
|
remove GIC print
|
2020-04-09 21:58:10 +02:00 |
|
|
4587d3ff5c
|
update stretched H2
|
2020-04-09 14:31:50 +02:00 |
|
|
e11d1a94dd
|
GIC functional working
|
2020-04-06 23:34:49 +02:00 |
|
|
614bf19a9c
|
B88 for ensemble starting implementation
|
2020-04-06 22:27:13 +02:00 |
|
|
192a6345de
|
GIC functional
|
2020-04-06 19:40:42 +02:00 |
|
|
5a80b38685
|
individual energies for HF
|
2020-04-02 09:53:36 +02:00 |
|
|
f39341ab82
|
hartree ind energy
|
2020-04-01 23:15:57 +02:00 |
|
|
2eddd491bf
|
individual energies fixed at fucking last
|
2020-04-01 22:59:52 +02:00 |
|
|
e7fa09cbd0
|
guess
|
2020-03-31 23:33:48 +02:00 |
|
|
196ac67c26
|
fix bug in LDA shift
|
2020-03-31 22:15:45 +02:00 |
|