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• 09051226de GW alternatif master Antoine MARIE 2025-04-23 14:19:29 +02:00
• 921902962b trying a sanity check Antoine MARIE 2025-04-21 14:56:27 +02:00
• c3d222ee26 saving work in ghf Antoine MARIE 2025-04-17 15:03:45 +02:00
• 0873effb64 Merge branch 'master' of github.com:pfloos/QuAcK Antoine MARIE 2025-04-15 15:55:32 +02:00
• 1d316f0fd2 ok with pp self-energy, eh self-energy still giving crazy results Antoine MARIE 2025-04-15 15:55:24 +02:00
• ccc32dace0
  Update README.md Pierre-Francois Loos 2025-04-14 21:49:01 +02:00
• a4c422fe39
  Update README.md Pierre-Francois Loos 2025-04-14 21:48:20 +02:00
• 500ad141f6
  Update README.md Pierre-Francois Loos 2025-04-14 21:46:28 +02:00
• acf65597ec
  Update README.md Pierre-Francois Loos 2025-04-14 21:45:08 +02:00
• 9234df0e10
  Update README.md Pierre-Francois Loos 2025-04-14 21:42:49 +02:00
• f4e5baa8dc Merge branch 'master' of github.com:pfloos/QuAcK Pierre-Francois Loos 2025-04-14 15:27:54 +02:00
• ee8299a5f6 clean up in AOtoMO Pierre-Francois Loos 2025-04-14 15:27:47 +02:00
• 095695ab6b trying to solve problem Antoine MARIE 2025-04-05 17:29:13 +02:00
• e1cddba6c3 corrections in GParquet self-energy Pierre-Francois Loos 2025-04-04 09:54:02 +02:00
• deee1061c9 remove long lines Pierre-Francois Loos 2025-04-04 09:23:05 +02:00
• 8213c47615 DIIS in parquet 1b with more printing pfloos 2025-04-03 22:19:01 +02:00
• a168d1be34 diis for one-body part in RParquet pfloos 2025-04-03 22:06:07 +02:00
• fff8fd71ec tracking memory usage in RParquet pfloos 2025-04-03 21:47:28 +02:00
• e967e12bfb improve convergence by removing silly reset to zero pfloos 2025-04-03 18:11:24 +02:00
• c20aba0c5e fix Antoine MARIE 2025-04-03 17:32:29 +02:00
• 100357747b more openMP Antoine MARIE 2025-04-03 17:26:35 +02:00
• 8002e021fd modify print in parquet pfloos 2025-04-03 17:23:28 +02:00
• e39c90723a correct SCF loop in RHF Antoine MARIE 2025-04-03 15:53:19 +02:00
• 992c65b497 restricted self energy done Antoine MARIE 2025-04-03 15:50:31 +02:00
• bf35de22d7 ok with pp self-energy Antoine MARIE 2025-04-03 13:51:28 +02:00
• 2053384ff3 Merge branch 'master' of github.com:pfloos/QuAcK pfloos 2025-04-02 16:28:49 +02:00
• 0881c8f24c memory usage in GParquet pfloos 2025-04-02 16:27:59 +02:00
• d2cf0cc7b0 remove prints Antoine MARIE 2025-04-02 16:19:32 +02:00
• 56224b3600 change print Antoine MARIE 2025-04-02 16:17:00 +02:00
• 54d88733df RHF GF2 self-energy Antoine MARIE 2025-04-02 16:16:34 +02:00
• 9c79ff2c5a Merge branch 'master' of github.com:pfloos/QuAcK Antoine MARIE 2025-04-02 15:13:51 +02:00
• d024fb5db4 open mp in ghf Antoine MARIE 2025-04-02 15:13:47 +02:00
• 2d651dd1cc diis options in parquet pfloos 2025-04-02 14:40:00 +02:00
• 99f26d72bf speedup phGLR and G_screened_int Antoine MARIE 2025-04-02 11:35:33 +02:00
• d6b6e7ce63 saving work Antoine MARIE 2025-04-02 10:52:04 +02:00
• ecf657810b fix test pfloos 2025-04-01 18:21:35 +02:00
• 2b99b154c5 more options in parquet pfloos 2025-04-01 18:18:35 +02:00
• abf82a3453 working on parquet Pierre-Francois Loos 2025-04-01 13:51:37 +02:00
• 2a0172e703 modify script to create new routines pfloos 2025-03-31 22:34:59 +02:00
• d1dd544b3e adding more variables (Ec,TDA) pfloos 2025-03-31 22:19:07 +02:00
• a96e46bbc5 more changes in print pfloos 2025-03-31 22:03:00 +02:00
• 337a672461 proper printing routine for 1b parquet pfloos 2025-03-31 21:31:59 +02:00
• cd54aab559 correct unwanted changeé Antoine MARIE 2025-03-31 16:21:52 +02:00
• 014a6adcfe add renormalization factor Antoine MARIE 2025-03-31 16:18:56 +02:00
• a45f109a96 spin-orbital implementation of self-energy Antoine MARIE 2025-03-31 15:56:05 +02:00
• 1c279e528e small modifs in GParquet pfloos 2025-03-27 22:25:49 +01:00
• ea26528afc diis on Phis Pierre-Francois Loos 2025-03-27 11:14:13 +01:00
• b3178e8a08 saving work Antoine MARIE 2025-03-27 10:07:36 +01:00
• 3ddb7802a3 spin adaptation and refactoring done Antoine MARIE 2025-03-27 09:58:01 +01:00
• 9c923dfcb3 Merge branch 'master' of github.com:pfloos/QuAcK Antoine MARIE 2025-03-26 22:48:54 +01:00
• 9a571c5b10 saving work but still not debug Antoine MARIE 2025-03-26 22:47:31 +01:00
• 3c694d779a remove eomgw pfloos 2025-03-26 21:14:56 +01:00
• 65a84fcb5b remove unnecessary files pfloos 2025-03-26 17:24:49 +01:00
• 7e1ea324b7 trying to fix tests pfloos 2025-03-26 17:14:52 +01:00
• ae2fd5c9ab Merge branch 'master' of github.com:pfloos/QuAcK Antoine MARIE 2025-03-26 16:19:33 +01:00
• b3859c7446 saving work but not fully debugged yet Antoine MARIE 2025-03-26 16:19:23 +01:00
• bf95acc34b include parquet method in UQuAcK pfloos 2025-03-26 15:49:16 +01:00
• d9fa986edb spin orbital parquet converging ! Antoine MARIE 2025-03-26 11:00:33 +01:00
• 767257d107 spin orbital parquet converging ! Antoine MARIE 2025-03-26 10:52:23 +01:00
• 0b56a1a94c Merge branch 'master' of github.com:pfloos/QuAcK Antoine MARIE 2025-03-25 17:20:11 +01:00
• 9d8b33dbea refactor in progress Antoine MARIE 2025-03-25 17:20:02 +01:00
• e40af1b54e fix read of dipole integrals Pierre-Francois Loos 2025-03-25 14:54:23 +01:00
• 1e0ed28f67 DIIS in parquet - working on it Pierre-Francois Loos 2025-03-25 10:31:17 +01:00
• 86c42b7001 ok with spin adaptation Antoine MARIE 2025-03-24 23:24:59 +01:00
• e0fe498b51 spin adaptation checked up to screened integrals, ie iteration 3 Antoine MARIE 2025-03-24 21:21:44 +01:00
• 36685fcc73 starting work on G Parquet Antoine MARIE 2025-03-22 17:20:56 +01:00
• 45fc92b764 time for GParquet Pierre-Francois Loos 2025-03-21 11:46:15 +01:00
• ec676b7025 convergence issue? Pierre-Francois Loos 2025-03-21 11:32:20 +01:00
• 806343007a ok with build gamma Antoine MARIE 2025-03-21 11:00:23 +01:00
• 5a8afe1739 to be done -> rho vs Gam Pierre-Francois Loos 2025-03-21 10:04:17 +01:00
• 9b15b34e4a removing initial useless RPA Pierre-Francois Loos 2025-03-21 09:48:10 +01:00
• a0de15240f modifs in parquet for Antoine pfloos 2025-03-20 22:29:07 +01:00
• 4e7ce9dbb4 update Parquet Antoine MARIE 2025-03-20 16:27:04 +01:00
• 4774ab082a documentation Antoine MARIE 2025-03-17 15:20:21 +01:00
• 5dce53b5df Merge branch 'master' of github.com:pfloos/QuAcK Antoine MARIE 2025-03-17 14:57:18 +01:00
• 14318a2178 update on Parquet Antoine MARIE 2025-03-17 14:56:56 +01:00
• 07c2846e38 comment unnecessary code pfloos 2025-02-22 21:48:55 +01:00
• 16321d98fc
  Update README.md Pierre-Francois Loos 2025-02-22 21:46:05 +01:00
• d80f1760d3
  Update README.md Pierre-Francois Loos 2025-02-22 21:45:34 +01:00
• 10e8b9c885 fix merge conflict Antoine MARIE 2025-02-21 16:00:57 +01:00
• 3207b3b583 working on Parquet structure Antoine MARIE 2025-02-21 15:59:50 +01:00
• 3425e51a03
  Merge pull request #13 from marm314/master Pierre-Francois Loos 2025-02-12 22:52:52 +01:00
• 8c9188fca0 Merge branch 'master' of github.com:pfloos/QuAcK Mauricio Rodriguez-Mayorga 2025-02-12 22:48:11 +01:00
• af8492cead Updated methods.default and options.default Mauricio Rodriguez-Mayorga 2025-02-12 22:46:56 +01:00
• 810ab896d2
  Merge pull request #12 from marm314/master Pierre-Francois Loos 2025-02-12 22:12:31 +01:00
• acb50fe994 Merge branch 'master' of github.com:pfloos/QuAcK Mauricio Rodriguez-Mayorga 2025-02-12 22:06:17 +01:00
• bc56e7f88e eHF is intent_in Mauricio Rodriguez-Mayorga 2025-02-12 22:04:18 +01:00
• 7488f0c845 Merge branch 'master' of https://github.com/pfloos/QuAcK Antoine MARIE 2025-02-10 20:16:09 +01:00
• a64848adbe update xyz file Antoine MARIE 2025-02-10 20:10:23 +01:00
• 539009a05b Removed unused test Mauricio Rodriguez-Mayorga 2025-02-07 10:20:20 +01:00
• 799d44324f Solved RESTART reading bug Mauricio Rodriguez-Mayorga 2025-02-06 22:41:35 +01:00
• 1f8757afb6 Fixed silly bug search chem_pot done N2 Mauricio Rodriguez-Mayorga 2025-02-06 16:32:08 +01:00
• de42425683 Allow restart in HFB Mauricio Rodriguez-Mayorga 2025-02-06 14:52:12 +01:00
• 2b8c9c8bd2 Allow HF chem_pot init Mauricio Rodriguez-Mayorga 2025-02-04 16:58:22 +01:00
• 502517b165 Ignore calcs files Mauricio Rodriguez-Mayorga 2025-02-04 15:07:46 +01:00
• c05631e1ba Incl sigma to change sign HFB Mauricio Rodriguez-Mayorga 2025-02-04 14:34:31 +01:00
• b260a7a70d Incl DIIS method Mauricio Rodriguez-Mayorga 2025-02-04 14:02:08 +01:00
• cad43b2e1b TODO DIIS AOs Mauricio Rodriguez-Mayorga 2025-02-04 00:43:47 +01:00
• a75d5b27cf Move 1 space Mauricio Rodriguez-Mayorga 2025-02-03 17:30:13 +01:00
• 674ceb658c TODO DIIS Atomic Mauricio Rodriguez-Mayorga 2025-02-03 16:41:09 +01:00