Pierre-Francois Loos
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ff8557b684
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modify print in test
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2023-11-14 14:31:27 +01:00 |
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ce57b4b494
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OK with tests for now
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2023-11-13 18:43:43 +01:00 |
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8a5e094278
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include test in many different things... work on progress
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2023-11-13 16:15:15 +01:00 |
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ef528e6a3c
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rename RMP routines and fix bug
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2023-11-11 21:43:35 +01:00 |
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821265a7aa
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rename AOtoMO and MOtoAO
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2023-11-10 17:22:51 +01:00 |
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94cc75309e
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AO <-> MO modifs
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2023-11-08 22:58:55 +01:00 |
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Pierre-Francois Loos
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4c9841c5cd
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evGGF2 and evGGW
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2023-10-27 13:56:53 +02:00 |
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Pierre-Francois Loos
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a60aa8d8ee
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GMP3 and GG0F2
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2023-10-27 13:35:10 +02:00 |
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90508131e3
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working on GHF
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2023-10-26 09:35:48 +02:00 |
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0b892dbe31
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restructuration QuAcK for restricted and unrestricted branches
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2023-10-25 21:38:20 +02:00 |
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1be31c72f4
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fix for real bug in AOtoMO transform for unrestricted case
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2023-10-25 10:38:29 +02:00 |
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665f494dd5
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fix QP graph everywhere
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2023-10-02 21:45:02 +02:00 |
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a3bff66372
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change update of GF2 denominator
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2023-09-07 15:37:19 +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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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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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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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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e409b30699
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fix printing bug
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2023-07-30 22:14:28 +02:00 |
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4576ee06c3
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rename LR routines
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2023-07-28 14:14:35 +02:00 |
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6b56acf66b
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updating Z in QP roots
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2023-07-27 21:23:40 +02:00 |
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ee0cb0fd6a
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fix root search
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2023-07-27 17:43:18 +02:00 |
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0a212628c3
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fix memory leaks in ppBSE
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2023-07-27 10:11:35 +02:00 |
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91c6e7db40
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ppBSE2@GF2
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2023-07-25 10:46:56 +02:00 |
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f0dda32d67
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ppBSE kernel
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2023-07-24 15:01:54 +02:00 |
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991e975f86
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ppBSE@GF2 static kernels
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2023-07-24 13:57:56 +02:00 |
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2aa079ceb0
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ppBSE@GF2 B block
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2023-07-24 13:38:18 +02:00 |
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4bb6dd20c5
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ppBSE@GF2 C and D blocks
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2023-07-24 13:02:24 +02:00 |
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eb59072a2c
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cleanup
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2023-07-23 18:03:15 +02:00 |
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aa1d3c90bc
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module GF
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2023-07-23 11:58:18 +02:00 |
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1ea1d49a4e
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rename UGF routines
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2023-07-22 21:02:59 +02:00 |
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46ab457dc2
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remove evDyn and cleanup dBSE@GW
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2023-07-21 10:21:54 +02:00 |
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ac0b9336df
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clean up LR in GW mess
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2023-07-19 11:03:55 +02:00 |
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a2c38aa03b
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remove COHSEX and modify phLR in GW routines
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2023-07-18 14:59:18 +02:00 |
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69faf94a4f
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renaming again
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2023-07-12 22:56:20 +02:00 |
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76bc19504d
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rename LR matrices
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2023-07-12 22:37:04 +02:00 |
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6d4199f989
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add optimization in GF
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2023-07-10 13:53:39 +02:00 |
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b851d09c48
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GF2 BSE2 rename
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2023-07-04 12:07:38 +02:00 |
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d704b367bc
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rename more files
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2023-07-04 11:56:00 +02:00 |
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5aff287039
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remove eDFT
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2023-07-03 14:41:46 +02:00 |
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Antoine Marie
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4334ce3ee6
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missing files
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2023-06-30 19:17:35 +02:00 |
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Antoine Marie
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545b5fb5e2
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trying to fix diverging version
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2023-06-30 16:47:26 +02:00 |
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ab6a8c7357
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fix reg in MP2
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2023-01-12 10:20:12 +01:00 |
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196e4c917a
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introduce SRG regularizer in GF, GW, and GT and add option for reg MP2
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2022-11-30 17:18:51 +01:00 |
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2a46cc4617
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remove old methods and options
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2022-11-29 09:54:18 +01:00 |
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a1e81ab7e5
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clean BSE2
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2022-02-01 11:42:31 +01:00 |
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f7718c8ab1
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clean linear response and static BSE2 kernel
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2022-01-31 13:19:42 +01:00 |
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d51f99671d
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problem with rcond in DIIS fixed
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2022-01-06 22:36:30 +01:00 |
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3d4ef5bece
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fix bug in GF
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2022-01-06 21:41:12 +01:00 |
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