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ddc92cfd81
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DD eLDA
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2020-03-17 11:29:20 +01:00 |
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0667c8c5fd
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individual energies for lda correlation
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2020-03-16 23:28:56 +01:00 |
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b9d0e40407
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more rm LZ
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2020-03-16 22:10:42 +01:00 |
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0a2211fa4c
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rm LZ
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2020-03-16 22:08:33 +01:00 |
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f1b681b90a
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commit b4 removing LZ routines
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2020-03-16 22:08:04 +01:00 |
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9bf424feab
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rename routines
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2020-03-16 10:48:54 +01:00 |
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642a217564
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restricted formalism
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2020-03-15 22:37:40 +01:00 |
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c947c6cf1d
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restricted individual energies
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2020-03-15 21:48:00 +01:00 |
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444a9f7bf1
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RVWN5
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2020-03-15 20:33:18 +01:00 |
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81ca41a2f6
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restricted subroutines
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2020-03-15 16:30:18 +01:00 |
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3502e5729e
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workin on restricted
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2020-03-15 16:29:43 +01:00 |
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b7474b4a60
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R and U density matrices
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2020-03-15 14:34:18 +01:00 |
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f8bdfb1ceb
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R and U density matrices
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2020-03-15 14:33:53 +01:00 |
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e14e8ac278
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R or U
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2020-03-15 08:24:15 +01:00 |
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6cff7ad77a
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starting modifying code for clotilde
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2020-03-15 08:23:01 +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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6b7ebf8158
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clean up ACFDT
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2020-03-13 10:25:20 +01:00 |
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150b669953
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check BSE
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2020-03-13 09:49:08 +01:00 |
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24a6cfab90
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moar clean up
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2020-03-13 09:18:18 +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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c8855d8aed
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more clean up
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2020-03-11 17:55:42 +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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08d97376f2
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ppRPA orlando orthogonalization
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2020-03-07 08:58:50 +01:00 |
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c71ccda4df
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experimenting with QP_roots
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2020-02-12 21:44:35 +01:00 |
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b09cff2ff7
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QP solutions
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2020-02-12 12:25:24 +01:00 |
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af17fb153f
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RPAx
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2020-01-28 09:00:11 +01:00 |
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395da84680
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clean up
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2020-01-25 15:49:09 +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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31a159f47a
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examples
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2020-01-17 17:35:40 +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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1d9eb104a6
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clean up
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2020-01-17 13:45:02 +01:00 |
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e01a34d6ba
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RPAx AC vs Tr
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2020-01-16 23:13:47 +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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4607acc649
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clean up
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2020-01-15 22:29:43 +01:00 |
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4f37593b5e
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bug fix
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2020-01-15 09:52:37 +01:00 |
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f3f8186387
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fix huckel guess
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2020-01-15 09:22:54 +01:00 |
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43a4ed34c2
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looking for a bug
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2020-01-14 22:56:20 +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
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2020-01-14 19:53:52 +01:00 |
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c2b49b572e
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GW AC
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2020-01-14 16:36:28 +01:00 |
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3ebcd29b19
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GW AC
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2020-01-14 16:36:11 +01:00 |
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51016fd5c1
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clean up + AC
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2020-01-14 14:44:01 +01:00 |
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c6ec8f91e9
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RPA and ACRPA
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2020-01-13 23:08:03 +01:00 |
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89ae51c659
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Ec AC
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2020-01-08 10:18:50 +01:00 |
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3246143355
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Ec AC
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2020-01-08 10:17:19 +01:00 |
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1acf76b156
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remove ERI copy in qsGW
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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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fb4251e419
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COHSEX done and debugged
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2019-10-24 08:07:31 +02:00 |
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