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608a62dd6a
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remove construction of matrices in ppRPA
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2023-07-17 23:05:49 +02:00 |
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91954dba8d
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remove so GT routines
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2023-07-17 22:31:28 +02:00 |
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8c0a682aed
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rename ACFDT routines
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2023-07-17 15:17:25 +02:00 |
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1f8dcf8db5
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rename ACFDT routines
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2023-07-17 15:17:02 +02:00 |
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760e5ebb8d
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clean up ppACFDT
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2023-07-17 14:50:16 +02:00 |
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af6a2038d6
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fix bug in MP module
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2023-07-17 14:24:49 +02:00 |
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95807231fe
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add MP module
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2023-07-17 14:21:39 +02:00 |
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a2ab1fa782
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remove MP2F12
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2023-07-17 14:09:29 +02:00 |
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db1733088a
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renaming in HF and MP variables
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2023-07-17 13:51:52 +02:00 |
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f7623c3ed6
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remove read/write guess
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2023-07-17 13:39:35 +02:00 |
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62b9722256
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remove read/write guess
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2023-07-17 13:39:13 +02:00 |
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2c7653b7bc
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add HF module
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2023-07-17 13:35:24 +02:00 |
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ae540679cd
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more renaming
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2023-07-12 23:16:37 +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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75415d2427
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remove ADC
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2023-07-12 22:12:28 +02:00 |
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d6eb90df47
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moving calculations of Z in Sig
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2023-07-12 14:13:45 +02:00 |
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d207fb5173
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renaming LR routines and fix bug in Z GW
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2023-07-12 13:34:10 +02:00 |
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6e93f1f6bb
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add dynamic BSE2@GW
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2023-07-10 14:50:16 +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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06df6109fa
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add optimization in GT
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2023-07-10 11:53:42 +02:00 |
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d93fbcb591
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add optimization in BSE@GW
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2023-07-10 11:36:45 +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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86ae96511b
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rename GW routines
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2023-07-04 10:51:03 +02:00 |
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f90a679f0c
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rename GW routines
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2023-07-04 10:44:20 +02:00 |
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490dd13c0d
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remove SOSEX
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2023-07-04 10:37:54 +02:00 |
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812721e5d9
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rename GTpp routines
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2023-07-04 10:32:47 +02:00 |
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2fc348ebe4
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qsGTeh
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2023-07-04 09:27:35 +02:00 |
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b701886e5c
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fix 2 bugs en GTeh
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2023-07-04 08:29:16 +02:00 |
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1110cd6319
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evGTeh
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2023-07-03 23:15:07 +02:00 |
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4f3b3102d3
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remove numgrid
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2023-07-03 22:33:50 +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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989e0b9bd8
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remove qcaml for pyscf
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2023-07-03 14:33:48 +02:00 |
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af5d4f4226
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fixing antoine
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2023-07-02 16:21:14 +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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86e9ee3dd6
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change compiler to gfortran and read basis to be compatible with GoDuck.sh
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2023-06-30 16:56:07 +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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a8a8218798
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ok with ehGT
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2023-06-29 20:46:47 +02:00 |
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3bab883de1
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missing file
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2023-06-29 18:56:01 +02:00 |
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f5d6971e1f
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experimental files
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2023-06-29 18:54:00 +02:00 |
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Antoine Marie
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552005f910
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dgemm instead of matmul for nVV matrix multiplication in sort_ppRPA.f90
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2023-06-14 16:53:16 +02:00 |
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Antoine Marie
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3941db73e3
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fix conflict, nuclear energy fixed in previous commit
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2023-04-20 17:03:23 +02:00 |
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Antoine Marie
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c74579254d
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save file before pull
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2023-04-20 17:00:34 +02:00 |
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fe8768470d
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remove in QuAcK
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2023-04-12 22:30:28 +02:00 |
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0746f2110a
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corrected
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2023-04-12 22:30:06 +02:00 |
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f998fb3a13
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remove self-screening correction
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2023-04-12 22:29:10 +02:00 |
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6515773839
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bug in ufGW and ufG0W0
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2023-04-12 21:41:30 +02:00 |
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Antoine Marie
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78cefb5759
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fix conflicts
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2023-03-14 14:15:00 +01:00 |
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Antoine Marie
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535b6e2aa2
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modif in utils
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2023-03-14 14:12:43 +01:00 |
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