Abdallah Ammar
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5925fb73bc
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RHF in nOrb representation has been tested
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2024-09-01 13:50:29 +02:00 |
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Abdallah Ammar
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c06871a0ff
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introduce nBas_MOs in RGW
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2024-08-29 00:00:41 +02:00 |
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Abdallah Ammar
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56db8456b9
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introduce nBas_MOs in AOtoMO_ERI_RHF
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2024-08-28 18:59:55 +02:00 |
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Abdallah Ammar
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d823cdcd20
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introduce nBas_MOs in ROHF
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2024-08-28 18:39:51 +02:00 |
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Abdallah Ammar
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368cd7adf9
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OpenMP for tmp_m in GW_ppBSE_static_kernel_C
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2024-08-22 18:35:17 +02:00 |
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Abdallah Ammar
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675fc77acc
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rm timing
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2024-08-22 18:27:52 +02:00 |
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Abdallah Ammar
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adf05c13ee
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OpenMP -> DGEMM in GW_ppBSE_static_kernel_C, ispin=1,2
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2024-08-22 18:15:47 +02:00 |
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Abdallah Ammar
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af65a4d69c
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GW_ppBSE_static_kernel_C for ispin = 2
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2024-08-22 16:44:16 +02:00 |
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Abdallah Ammar
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bb4729192e
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GW_ppBSE_static_kernel_C for ispin = 1
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2024-08-22 15:23:08 +02:00 |
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0283032a52
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saving working in static ppBSE@GF2
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2024-07-11 09:51:44 +02:00 |
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74149ca15b
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saving work
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2024-07-04 15:32:38 +02:00 |
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Pierre-Francois Loos
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a972877eac
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looking for wrong sign
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2024-07-04 14:11:04 +02:00 |
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Pierre-Francois Loos
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719de655cc
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saving work in ppBSE
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2024-07-04 13:59:06 +02:00 |
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Pierre-Francois Loos
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8db4d285f7
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ppBSE2 beyond TDA
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2024-07-04 11:22:41 +02:00 |
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Pierre-Francois Loos
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2a668b4d40
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pp-dBSE beyond TDA
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2024-07-04 10:41:57 +02:00 |
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7a1238669d
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stop .dat print in GW
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2024-07-03 17:00:12 +02:00 |
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6a7e7fb602
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debug TDAppBSEDynamicGW
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2024-07-03 16:43:41 +02:00 |
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Pierre-Francois Loos
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5c5c1aa6d6
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modifs with antoine
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2024-07-02 14:41:12 +02:00 |
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cea30b737c
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start cRHF
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2024-04-21 22:29:07 +02:00 |
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1e06c7eb45
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ok with GW+C
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2024-02-21 21:57:48 +01:00 |
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c055cd8521
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fix bug in GW+C
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2024-02-21 20:55:10 +01:00 |
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Pierre-Francois Loos
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4f07be96f7
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RGWC
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2024-02-21 17:49:43 +01:00 |
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Pierre-Francois Loos
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6cff335591
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debugging GW+C
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2024-02-21 16:32:13 +01:00 |
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6027b12ce2
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GW+C
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2024-02-19 14:08:50 +01:00 |
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940544b16f
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save GWC
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2024-02-08 23:04:27 +01:00 |
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a40b49fe9e
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samll modifs in GW+C
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2024-02-08 19:21:29 +01:00 |
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Pierre-Francois Loos
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0e974dcfdb
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clean up RGWC
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2024-02-08 16:42:44 +01:00 |
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Pierre-Francois Loos
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959cc22535
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fix GW+C
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2024-02-02 17:23:26 +01:00 |
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5b704e91ea
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small changes in cumulant
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2024-01-31 23:15:13 +01:00 |
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990cf8462b
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cleaning up GW+C
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2024-01-30 12:06:21 +01:00 |
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437c5d19c1
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remove useless routine
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2024-01-30 10:16:42 +01:00 |
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5562c341f6
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fix GW+C spectral function
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2024-01-29 23:01:10 +01:00 |
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6680cc84dd
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GW+C spectral function
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2024-01-29 17:20:57 +01:00 |
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c2fc694fdb
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GW spectal function
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2024-01-29 15:23:34 +01:00 |
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7f4268a185
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GW_ImSigC.f90
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2024-01-29 15:19:30 +01:00 |
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a1286af824
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additional geometries
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2024-01-18 22:31:16 +01:00 |
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ff14632ddc
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add GW+C in evGW
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2024-01-18 17:38:05 +01:00 |
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26afce35ca
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adding SRG-qsGW+C
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2024-01-18 12:04:34 +01:00 |
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87245a33e2
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RGW+C
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2024-01-18 11:53:20 +01:00 |
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e277931d14
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RGW+C
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2024-01-18 11:53:02 +01:00 |
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3d5f60139e
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GW+C
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2024-01-17 18:40:21 +01:00 |
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1230938316
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fix HOMO LUMO print in GG0W0
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2023-12-31 11:35:56 +01:00 |
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e691860b7d
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SRG-qsUGW
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2023-12-26 19:54:04 +01:00 |
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39edb33dcb
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change print HOMO LUMO in UHF and G0W0
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2023-12-26 12:37:56 +01:00 |
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Antoine Marie
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c429748320
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meeting
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2023-12-15 09:53:29 +01:00 |
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Antoine Marie
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f8f857ed38
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trying to fix merge conflict
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2023-12-14 21:44:17 +01:00 |
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dac467ede9
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Merge branch 'master' of github.com:pfloos/QuAcK
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2023-12-03 21:07:41 +01:00 |
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836e244d69
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working toward ufG0F02
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2023-12-03 21:07:30 +01:00 |
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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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66fa14687d
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moving screening calculation in ufG routines
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2023-11-30 09:21:21 +01:00 |
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