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c19aff3a32
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change multiplicty option to 2S+1
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2023-09-06 13:33:41 +02:00 |
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4eaf01c81a
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fix typo in ROHF print
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2023-09-06 13:23:25 +02:00 |
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a18dfa5545
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OK with ROHF
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2023-09-06 13:19:49 +02:00 |
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66913f9a37
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OK with ROHF
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2023-09-06 13:16:44 +02:00 |
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4e057b71f5
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print ROHF
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2023-09-06 12:22:53 +02:00 |
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8ffa4ff1a8
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fix python script for open shell
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2023-09-06 11:40:26 +02:00 |
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07208d9b68
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remove pCCDso
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2023-09-06 11:19:01 +02:00 |
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00049621ff
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fix bug in ROHF
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2023-09-06 09:50:29 +02:00 |
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99cbd0e95d
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ROHF not yet debugged
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2023-09-05 17:23:40 +02:00 |
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ea1fd8eebe
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Update README.md
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2023-08-28 16:17:11 +02:00 |
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c046bc277c
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more clean up in QP root search
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2023-08-24 12:14:07 +02:00 |
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7b30127e21
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fix plot mistake
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2023-08-24 11:57:19 +02:00 |
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e19e870805
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fix root search in GTpp and plot routine
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2023-08-24 11:46:45 +02:00 |
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9f7a9f5c21
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fix plot mistake
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2023-08-24 11:18:12 +02:00 |
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7efca56054
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plotting routines
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2023-08-24 00:02:23 +02:00 |
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b96f11ad2d
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fix bug in sc eh T-matrix modules
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2023-08-23 16:04:00 +02:00 |
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f631f1711b
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modify print in GTeh
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2023-08-22 22:30:11 +02:00 |
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Antoine Marie
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c4a01b8a12
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switch back compiler
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2023-08-21 10:57:17 +02:00 |
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Antoine Marie
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ddb24ecf99
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fixing openmp bugs and some warning
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2023-08-21 10:54:33 +02:00 |
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9e65d4a090
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cleaning prints and fix bug in regularization
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2023-08-01 21:32:57 +02:00 |
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e02624c646
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regularization in GF2
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2023-08-01 17:38:35 +02:00 |
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f3f97a1daf
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kappa in reg
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2023-08-01 17:18:10 +02:00 |
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f3f2135074
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GT regularization
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2023-08-01 17:15:44 +02:00 |
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9b48d07f26
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GTeh regularization
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2023-08-01 17:00:03 +02:00 |
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01d8e28ca2
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fixing GW regularization
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2023-08-01 16:30:41 +02:00 |
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0dfa3b0071
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clean up in RPA
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2023-07-31 16:01:12 +02:00 |
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29f3312cfc
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remove useless routines
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2023-07-31 14:47:09 +02:00 |
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5620965a87
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merge self-energy and Z in UGTpp
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2023-07-31 09:23:43 +02:00 |
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e449be4d18
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unrestricted GTpp methods
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2023-07-30 22:21:23 +02:00 |
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b3ebe98ede
|
Update README.md
|
2023-07-30 22:20:29 +02:00 |
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d4b5406dd5
|
Update README.md
|
2023-07-30 22:19:43 +02:00 |
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d95ec296b6
|
Update README.md
|
2023-07-30 22:18:57 +02:00 |
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6d17b1b4eb
|
Update README.md
|
2023-07-30 22:17:59 +02:00 |
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e409b30699
|
fix printing bug
|
2023-07-30 22:14:28 +02:00 |
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2d61eaa29f
|
clean up UGW
|
2023-07-30 22:01:44 +02:00 |
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76230b7990
|
cleanup read_methods
|
2023-07-29 09:28:22 +02:00 |
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7aa52da10d
|
Merge branch 'master' of github.com:pfloos/QuAcK
|
2023-07-29 09:25:01 +02:00 |
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6c4c526995
|
cleanup QuAcK main module
|
2023-07-29 09:24:55 +02:00 |
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3c3bb0004e
|
new logo
|
2023-07-28 22:44:59 +02:00 |
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54adecd2a5
|
more cleanup
|
2023-07-28 15:01:14 +02:00 |
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49fedf3307
|
more cleanup
|
2023-07-28 15:00:17 +02:00 |
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68e6f02ae2
|
clean print excitations
|
2023-07-28 14:35:14 +02:00 |
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4576ee06c3
|
rename LR routines
|
2023-07-28 14:14:35 +02:00 |
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9c7725a0d9
|
more UGW renaming
|
2023-07-27 22:07:02 +02:00 |
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eee5f6bac8
|
rename UGW routines
|
2023-07-27 21:59:18 +02:00 |
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6b56acf66b
|
updating Z in QP roots
|
2023-07-27 21:23:40 +02:00 |
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4fec6e88f5
|
clean up GTpp
|
2023-07-27 19:17:20 +02:00 |
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ee0cb0fd6a
|
fix root search
|
2023-07-27 17:43:18 +02:00 |
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044058ac66
|
root search for GTeh
|
2023-07-27 16:43:15 +02:00 |
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866ed94153
|
add S2
|
2023-07-27 11:38:56 +02:00 |
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