Pierre-Francois Loos
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055fd3712a
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karlsruhe XBS version
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2024-09-10 14:35:45 +02:00 |
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Pierre-Francois Loos
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826d80d594
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more cleanup
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2024-09-10 09:40:22 +02:00 |
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Pierre-Francois Loos
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65ba14706c
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cleanup in RG0W0
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2024-09-10 09:34:46 +02:00 |
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e2617c1113
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debugging AC@BSE
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2024-09-09 20:49:35 +02:00 |
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b6652240d3
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GG0T0pp
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2024-09-08 17:15:27 +02:00 |
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d5a396200e
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remove redundant code
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2024-09-08 16:19:03 +02:00 |
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Abdallah Ammar
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3142c59066
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Merge branch 'master' of https://github.com/pfloos/QuAcK
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2024-09-07 13:59:20 +02:00 |
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Abdallah Ammar
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178cf40214
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added Davidson for ppLR_RG0T0pp
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2024-09-07 13:59:15 +02:00 |
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f85bd15e03
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creating new routines gor G branch in RPA, LR, GF and GW
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2024-09-06 22:14:51 +02:00 |
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Pierre-Francois Loos
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fa69888f48
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ppBSE@GW@GHF
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2024-09-06 13:47:15 +02:00 |
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Antoine Marie
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3111666d15
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openMP implementation of the VV block for ppBSE@GF2
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2024-09-06 11:26:47 +02:00 |
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ede79d9ff4
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renaming in GW module
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2024-09-03 16:06:09 +02:00 |
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Abdallah Ammar
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9d2a6eee0b
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udapted qsRGF2, qsRGTeh, qsRGTpp and qsRGW pour nOrb
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2024-09-01 15:29:33 +02:00 |
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Abdallah Ammar
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20875a51a4
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fixed conf in pCCD
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2024-09-01 14:33:36 +02:00 |
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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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0b28512edc
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fixed small bugs
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2024-08-29 14:05:21 +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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