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4983c8c16b
|
core in CC
|
2020-03-26 16:57:46 +01:00 |
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|
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23e752f5d1
|
workin on numgrid
|
2020-03-25 09:48:58 +01:00 |
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08a4d4e4e9
|
spinorbital G0T0 OK
|
2020-03-24 14:55:22 +01:00 |
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5ef788cbc9
|
pCCD and ppRPA
|
2020-03-24 12:28:56 +01:00 |
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a8d26d6e36
|
numgrid test
|
2020-03-23 17:26:12 +01:00 |
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002e653cbb
|
fix bug in eDFT
|
2020-03-23 08:53:19 +01:00 |
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|
|
6a0bf1f8ce
|
DIIS in CCD
|
2020-03-22 23:01:36 +01:00 |
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f43cf3f4e4
|
debug pCCD
|
2020-03-22 15:20:42 +01:00 |
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eee1a1c6b4
|
CCD variants
|
2020-03-21 22:50:43 +01:00 |
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a985f27142
|
BSE in ppRPA
|
2020-03-21 21:09:48 +01:00 |
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941ab79dc1
|
numgrid
|
2020-03-21 16:31:39 +01:00 |
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5f75ec478b
|
GF clean up
|
2020-03-19 10:33:56 +01:00 |
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bcbeba2a7c
|
GF clean up
|
2020-03-19 10:21:18 +01:00 |
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|
|
d0020765fc
|
moved Cx in parameters
|
2020-03-18 16:06:29 +01:00 |
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|
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0be0d5d8c3
|
revive eDFT code
|
2020-03-14 23:00:44 +01:00 |
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|
24a6cfab90
|
moar clean up
|
2020-03-13 09:18:18 +01:00 |
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|
|
fc73914faa
|
graphical GW
|
2020-03-12 15:04:16 +01:00 |
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|
|
c8855d8aed
|
more clean up
|
2020-03-11 17:55:42 +01:00 |
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|
|
63e6be3b2c
|
BSE clean up
|
2020-03-11 16:41:20 +01:00 |
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|
|
08d97376f2
|
ppRPA orlando orthogonalization
|
2020-03-07 08:58:50 +01:00 |
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|
b09cff2ff7
|
QP solutions
|
2020-02-12 12:25:24 +01:00 |
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|
|
e01a34d6ba
|
RPAx AC vs Tr
|
2020-01-16 23:13:47 +01:00 |
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|
|
8dfd69db80
|
exchange kernel
|
2020-01-16 21:39:00 +01:00 |
|
|
|
4607acc649
|
clean up
|
2020-01-15 22:29:43 +01:00 |
|
|
|
4f37593b5e
|
bug fix
|
2020-01-15 09:52:37 +01:00 |
|
|
|
43a4ed34c2
|
looking for a bug
|
2020-01-14 22:56:20 +01:00 |
|
|
|
c2ac210e4c
|
create BSE standalone routine
|
2020-01-14 21:27:34 +01:00 |
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|
|
3ebcd29b19
|
GW AC
|
2020-01-14 16:36:11 +01:00 |
|
|
|
51016fd5c1
|
clean up + AC
|
2020-01-14 14:44:01 +01:00 |
|
|
|
c6ec8f91e9
|
RPA and ACRPA
|
2020-01-13 23:08:03 +01:00 |
|
|
|
3246143355
|
Ec AC
|
2020-01-08 10:17:19 +01:00 |
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|
|
72abe8a4f6
|
bug
|
2019-10-28 16:34:09 +01:00 |
|
|
|
fb4251e419
|
COHSEX done and debugged
|
2019-10-24 08:07:31 +02:00 |
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|
|
8c2b2f5e86
|
spinorb Tmatrix
|
2019-10-23 08:22:36 +02:00 |
|
|
|
877f78f1a5
|
T-matrix in spinorbitals
|
2019-10-22 23:03:01 +02:00 |
|
|
|
6ca20e2ea3
|
T matrix *might* be working
|
2019-10-17 22:07:41 +02:00 |
|
|
|
6e3abd8927
|
starting G0T0
|
2019-10-16 18:14:47 +02:00 |
|
|
|
f8a9321cf0
|
pp-RPA starting to be OK
|
2019-10-15 17:56:27 +02:00 |
|
|
|
a5047e9b1a
|
T-matrix self-energy
|
2019-10-06 22:35:36 +02:00 |
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|
|
9926f50ef4
|
new keyword for ppRPA
|
2019-10-05 23:32:17 +02:00 |
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|
|
883a07db16
|
huckel guess and ppRPA
|
2019-10-05 22:06:25 +02:00 |
|
|
|
55f7bffd76
|
fix bug in evGW for BSE Ec
|
2019-10-01 14:53:36 +02:00 |
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|
|
bf43db038e
|
done
|
2019-09-26 22:46:32 +02:00 |
|
|
|
5871d6fad3
|
stupid big in qsGW BSE
|
2019-09-26 21:43:06 +02:00 |
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|
|
d9efdc53bf
|
stupid big in qsGW BSE
|
2019-09-26 21:36:46 +02:00 |
|
|
|
bc834c0466
|
scan diatomics
|
2019-09-23 18:36:55 +02:00 |
|
|
|
ff82232fe5
|
fix bug in printing qsGW energy after BSE
|
2019-09-23 13:31:01 +02:00 |
|
|
|
8dbd12ecac
|
eta parameter
|
2019-09-22 21:15:53 +02:00 |
|
|
|
153fe069aa
|
qsGW fix bug
|
2019-09-21 08:53:29 +02:00 |
|
|
|
c477b848ac
|
basis correction
|
2019-07-09 16:17:10 +02:00 |
|
