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04c70f18d8
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minimal changes in many files
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2023-12-03 18:47:30 +01:00 |
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337a950172
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cleanup again in print
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2023-11-27 23:25:10 +01:00 |
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Pierre-Francois Loos
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0d32c305bf
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timing in ufGW
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2023-11-27 10:17:14 +01:00 |
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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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976d2b0c54
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saving work: test in GW
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2023-11-13 17:39:30 +01:00 |
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Pierre-Francois Loos
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717138f363
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starting cleaning up the unrestricted branch
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2023-11-10 14:37:49 +01:00 |
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193b99a856
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more cleanup prints
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2023-11-09 17:22:01 +01:00 |
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4d8b25dfea
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add QP search in UG0W0 and evUGW
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2023-10-25 13:19:21 +02:00 |
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5d0441e850
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fix bug in qsUGW and evUGW
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2023-10-25 00:05:17 +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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2d61eaa29f
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clean up UGW
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2023-07-30 22:01:44 +02:00 |
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49fedf3307
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more cleanup
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2023-07-28 15:00:17 +02:00 |
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eee5f6bac8
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rename UGW routines
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2023-07-27 21:59:18 +02:00 |
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bd6fdf87f1
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remove ERI_AO in GW GT
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2023-07-23 23:10:57 +02:00 |
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ed08450661
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RPA module
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2023-07-23 11:16:42 +02:00 |
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b5ccfb734a
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remove Vxc and SigX and rename routines in UGT
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2023-07-22 21:40:19 +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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3a18f3e28a
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rename UAC routines
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2023-07-22 19:41:45 +02:00 |
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b010c872fc
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remove COHSEX completely
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2023-07-21 22:54:53 +02:00 |
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c476b258ff
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rename ULR routines
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2023-07-21 13:04:29 +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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600eb557b2
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remove plot_GW
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2023-07-20 21:50:41 +02:00 |
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61b9b9472c
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getting rid of G0W and GW0
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2022-11-30 16:41:19 +01:00 |
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d51f99671d
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problem with rcond in DIIS fixed
|
2022-01-06 22:36:30 +01:00 |
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c21864c34c
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regularized self-energy in qsGW and evGW
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2022-01-06 22:02:10 +01:00 |
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203ce9541c
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regularized GW
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2021-12-17 11:41:40 +01:00 |
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