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96207d9c58
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problem minus sign solved
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2020-06-01 17:14:42 +02:00 |
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13b170fc2f
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star implementation of CISD
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2020-04-20 12:28:19 +02:00 |
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2b0244e010
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RS in GW
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2020-04-16 17:02:01 +02:00 |
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a0b8383971
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correct bug in evGW
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2020-04-15 09:34:41 +02:00 |
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cfc910fb26
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lr from Toto
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2020-04-14 15:59:34 +02:00 |
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2f835304f7
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evGT
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2020-04-13 14:19:14 +02:00 |
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b96ea676fd
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b4 removing soG0T0
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2020-04-13 11:33:48 +02:00 |
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4983c8c16b
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core in CC
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2020-03-26 16:57:46 +01:00 |
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23e752f5d1
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workin on numgrid
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2020-03-25 09:48:58 +01:00 |
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5ef788cbc9
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pCCD and ppRPA
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2020-03-24 12:28:56 +01:00 |
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a8d26d6e36
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numgrid test
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2020-03-23 17:26:12 +01:00 |
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a13ab94a52
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FC in pCCD
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2020-03-22 22:22:47 +01:00 |
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f43cf3f4e4
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debug pCCD
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2020-03-22 15:20:42 +01:00 |
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eee1a1c6b4
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CCD variants
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2020-03-21 22:50:43 +01:00 |
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a985f27142
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BSE in ppRPA
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2020-03-21 21:09:48 +01:00 |
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941ab79dc1
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numgrid
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2020-03-21 16:31:39 +01:00 |
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5f75ec478b
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GF clean up
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2020-03-19 10:33:56 +01:00 |
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bcbeba2a7c
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GF clean up
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2020-03-19 10:21:18 +01:00 |
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0be0d5d8c3
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revive eDFT code
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2020-03-14 23:00:44 +01:00 |
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fc73914faa
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graphical GW
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2020-03-12 15:04:16 +01:00 |
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63e6be3b2c
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BSE clean up
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2020-03-11 16:41:20 +01:00 |
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9e3c3f9c89
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eta in linear response
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2020-01-23 21:22:41 +01:00 |
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76aa00962d
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nS
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2020-01-22 09:20:18 +01:00 |
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22d83c824f
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new files
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2020-01-17 15:31:38 +01:00 |
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847160ad09
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basis
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2020-01-17 13:57:03 +01:00 |
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8dfd69db80
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exchange kernel
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2020-01-16 21:39:00 +01:00 |
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c2ac210e4c
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create BSE standalone routine
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2020-01-14 21:27:34 +01:00 |
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d84cff37b2
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rename TDHF and co
|
2020-01-14 19:53:52 +01:00 |
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51016fd5c1
|
clean up + AC
|
2020-01-14 14:44:01 +01:00 |
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c6ec8f91e9
|
RPA and ACRPA
|
2020-01-13 23:08:03 +01:00 |
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1acf76b156
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remove ERI copy in qsGW
|
2019-10-30 10:31:05 +01:00 |
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72abe8a4f6
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bug
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2019-10-28 16:34:09 +01:00 |
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877f78f1a5
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T-matrix in spinorbitals
|
2019-10-22 23:03:01 +02:00 |
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8e07edaae0
|
G0T0 bug and clean up
|
2019-10-18 23:16:37 +02:00 |
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6e3abd8927
|
starting G0T0
|
2019-10-16 18:14:47 +02:00 |
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0c6f1ee7d5
|
ppRPA done
|
2019-10-15 23:13:00 +02:00 |
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f8a9321cf0
|
pp-RPA starting to be OK
|
2019-10-15 17:56:27 +02:00 |
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a5047e9b1a
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T-matrix self-energy
|
2019-10-06 22:35:36 +02:00 |
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923d1a8bd6
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pp-RPA
|
2019-10-05 23:09:20 +02:00 |
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8dbd12ecac
|
eta parameter
|
2019-09-22 21:15:53 +02:00 |
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b7475c58cf
|
huckel guess
|
2019-09-20 22:28:01 +02:00 |
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2feb62101d
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GW correction
|
2019-07-09 23:09:32 +02:00 |
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ba070b3484
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GW correction
|
2019-07-09 17:25:21 +02:00 |
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c477b848ac
|
basis correction
|
2019-07-09 16:17:10 +02:00 |
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b18613c763
|
TDHF Ec
|
2019-05-23 09:53:23 +02:00 |
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bfe2f78b66
|
add lib directory
|
2019-05-08 09:10:46 +02:00 |
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bd44ad4ffb
|
correcting bug in read_integrals
|
2019-05-08 08:59:26 +02:00 |
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ce7d0118ab
|
sph ready
|
2019-05-07 22:55:36 +02:00 |
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b93ee21573
|
fix bug in GF2
|
2019-04-29 09:52:21 +02:00 |
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dd2ee22779
|
time QuAcK
|
2019-04-24 18:00:54 +02:00 |
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a03e011301
|
sph ready
|
2019-04-24 15:33:04 +02:00 |
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deb5144161
|
sph int
|
2019-04-18 23:22:23 +02:00 |
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31e3707ce6
|
Sph
|
2019-04-02 22:58:24 +02:00 |
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881220a97f
|
fix DIIS in GW
|
2019-04-01 15:53:39 +02:00 |
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a34e444fa0
|
EOM-CC under way
|
2019-03-19 23:02:22 +01:00 |
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3ee4b0855a
|
xcDFT -> eDFT
|
2019-03-19 11:33:49 +01:00 |
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599182f5e5
|
UHF is working
|
2019-03-19 11:21:34 +01:00 |
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4c821fe4ac
|
cleanup
|
2019-03-19 10:13:33 +01:00 |
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