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b5a28cca0d
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EcGM
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2021-03-15 15:43:51 +01:00 |
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72470287f7
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UG0F2
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2021-03-08 17:00:05 +01:00 |
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3ced7a8846
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GF move
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2021-03-07 17:17:18 +01:00 |
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7fd5abe76f
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clean up GM again
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2021-03-06 23:08:43 +01:00 |
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96fa82931d
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GF2 clean up
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2021-03-06 15:27:35 +01:00 |
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ab7cf0401e
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qsGF2
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2021-03-05 22:34:48 +01:00 |
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cecaf03c57
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static screening
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2021-03-05 17:29:52 +01:00 |
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75ec2443c1
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stability analysis
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2021-03-03 11:37:46 +01:00 |
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5f55c1af4d
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fixing up qsGW Ec
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2021-03-01 14:55:29 +01:00 |
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272e47ed27
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UVWN3 for Gaussian B3LYP
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2021-02-25 10:55:08 +01:00 |
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ba7a2349af
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fix QP graph
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2021-02-15 22:15:30 +01:00 |
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a2155a4ae6
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T-matrix with KS starting point
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2021-02-15 22:00:19 +01:00 |
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0f28af6d50
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Vxc in GW
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2021-02-15 17:27:06 +01:00 |
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e793ceaeca
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BCCD start
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2021-01-05 15:51:52 +01:00 |
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e0a28f71bd
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print qsUGW
|
2020-12-10 09:19:58 +01:00 |
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fedc3a5d23
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removing GM correlation energy in qsGW
|
2020-11-04 15:25:53 +01:00 |
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64f02d427a
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debug GM correlation energy
|
2020-11-04 14:49:45 +01:00 |
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f44ab1eadb
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debug GM correlation energy
|
2020-11-04 14:47:45 +01:00 |
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6061f1b507
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clean up print GW
|
2020-11-03 22:07:16 +01:00 |
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5df03b58ac
|
bug fix in qsUGW
|
2020-11-03 21:47:57 +01:00 |
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e26c052a17
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print qsUGW
|
2020-10-21 20:53:36 +02:00 |
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d6723f332d
|
qsUGW works
|
2020-10-21 12:59:02 +02:00 |
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b75798078b
|
qsUGW works
|
2020-10-21 12:58:37 +02:00 |
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2e6662056c
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working on qsUGW
|
2020-10-21 12:09:18 +02:00 |
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7af5a35157
|
bug in makefile debug
|
2020-10-14 16:02:09 +02:00 |
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96254cd22d
|
remove examples dir
|
2020-10-14 15:07:35 +02:00 |
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a5bd9c218b
|
ninja
|
2020-10-13 13:44:24 +02:00 |
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1abe13c86d
|
Done with UACFDT
|
2020-10-07 22:51:30 +02:00 |
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efbe27068e
|
unrestricted ACFDT
|
2020-10-07 18:26:24 +02:00 |
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dbd15c2dae
|
bug fix in sf-BSE-dyn
|
2020-10-06 16:15:47 +02:00 |
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3433e3f99e
|
sf-BSE
|
2020-10-06 14:24:54 +02:00 |
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73e6c58852
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S^2 spin flip almost OK
|
2020-10-05 23:00:56 +02:00 |
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3d2ca7529f
|
spin flip for CIS and TDHF almost done
|
2020-10-05 16:58:19 +02:00 |
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c15ea00351
|
CIS(D) sligntly faster
|
2020-10-02 13:42:21 +02:00 |
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ac66ae8ea2
|
corrected bug in spin flip
|
2020-09-30 15:02:48 +02:00 |
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680f4cb0e2
|
debugging sf
|
2020-09-30 09:59:18 +02:00 |
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11f0ded287
|
UBSE dynamic OK for spin-conserving transitions
|
2020-09-30 00:13:47 +02:00 |
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2a498658b3
|
major modification for makefiles
|
2020-09-30 00:10:57 +02:00 |
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