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04a01add99
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hpc
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2025-03-10 16:48:34 +01:00 |
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3024ffdad9
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dgemm in qmckl_compute_jastrow_champ_delta_p_g_hpc
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2025-03-03 14:49:16 +01:00 |
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9e0653e7fe
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Introduced qmckl_compute_jastrow_champ_delta_p_g_hpc
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2025-02-28 18:11:10 +01:00 |
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Emiel Slootman
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2f40ab7438
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fix
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2025-02-12 15:24:56 +01:00 |
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Emiel Slootman
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ca2be82107
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...
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2025-02-12 14:49:55 +01:00 |
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Emiel Slootman
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cfc2b16db5
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opt
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2025-02-12 13:02:58 +01:00 |
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Emiel Slootman
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040b7a3fe9
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optimizations
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2025-02-10 16:43:38 +01:00 |
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Emiel Slootman
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cf8eb9ffea
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Merge branch 'master' of https://github.com/EmielSlootman/qmckl
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2025-02-07 09:30:20 +01:00 |
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Emiel Slootman
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88e4a6b48c
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memory
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2025-02-07 09:30:09 +01:00 |
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2ec57f996a
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Try to solve qmckl_malloc
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2025-02-05 18:25:52 +01:00 |
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Emiel Slootman
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45efa5cb5e
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working for multiple walkers
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2025-02-05 17:18:00 +01:00 |
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Emiel Slootman
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51e41b2b3c
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optimizations
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2025-02-05 12:44:32 +01:00 |
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Emiel Slootman
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7b3a8fd558
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small things
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2025-02-03 16:00:01 +01:00 |
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Emiel Slootman
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eef7fde6da
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all working
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2025-01-24 16:57:47 +01:00 |
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Emiel Slootman
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e269729c47
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working mo gradient forces
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2025-01-23 13:08:05 +01:00 |
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Emiel Slootman
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494c402cb4
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3-body doc
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2025-01-13 16:44:53 +01:00 |
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Emiel Slootman
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4c50aec603
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starting documentation
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2025-01-13 13:41:06 +01:00 |
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251e437f26
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Merge branch 'master' of github.com:EmielSlootman/qmckl
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2024-12-26 11:08:13 +01:00 |
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Emiel Slootman
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538a929632
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some conflicts later...
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2024-12-23 23:57:27 +01:00 |
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80f7044a42
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Fixed tests
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2024-12-20 15:05:17 +01:00 |
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ac5d5535e6
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Fixed some tests in Jastrow-single
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2024-12-20 14:44:38 +01:00 |
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Emiel Slootman
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467411c230
|
optimizations
|
2024-12-18 00:32:21 +01:00 |
|
Emiel Slootman
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5270ee4f58
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bug and expanded tests
|
2024-12-17 22:54:33 +01:00 |
|
Emiel Slootman
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4964221bad
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tests and fixes
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2024-12-14 23:10:00 +01:00 |
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|
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abb486f4ba
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Modified for multiple walkers
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2024-12-14 22:39:18 +01:00 |
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0f041bd42b
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Fixing single-e for multiple walkers
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2024-12-14 22:31:22 +01:00 |
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e465c2c554
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Merge branch 'master' of github.com:EmielSlootman/qmckl
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2024-12-14 22:03:13 +01:00 |
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063de427be
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Merge with origin
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2024-12-14 22:03:02 +01:00 |
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Emiel Slootman
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145d537c66
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add accept move
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2024-12-14 16:55:18 +01:00 |
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|
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63bdd4072b
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Merge branch 'master' of github.com:EmielSlootman/qmckl
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2024-12-14 16:51:50 +01:00 |
|
Emiel Slootman
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96306ff7b8
|
fix bug in ee single
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2024-12-14 13:09:48 +01:00 |
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|
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592cb52ba0
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Broken
|
2024-12-12 11:17:45 +01:00 |
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fde224580d
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Optimized delta_p_gl
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2024-12-11 18:11:01 +01:00 |
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|
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9e03e49beb
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Fixed missing providers
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2024-12-11 16:43:07 +01:00 |
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be1da3c402
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Reduced memory
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2024-12-11 16:08:13 +01:00 |
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|
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5042df1b11
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Fixed qmckl_compute_single_ee_distance
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2024-12-11 15:49:00 +01:00 |
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6aa745ed38
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Fixed tests
|
2024-12-11 15:38:16 +01:00 |
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9c59d9f0cb
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Merge branch 'master' of github.com:EmielSlootman/qmckl
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2024-12-11 14:46:52 +01:00 |
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a1e011fb97
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Reduce memory
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2024-12-11 14:43:48 +01:00 |
|
Emiel Slootman
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6a33fbe901
|
2-body force done
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2024-12-11 14:17:33 +01:00 |
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53c636f8c7
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Reduced memory
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2024-12-10 19:59:13 +01:00 |
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3e6b5fd378
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Optimized delta_p
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2024-12-10 19:54:40 +01:00 |
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1867c186ce
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Optimized delta_p
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2024-12-10 19:50:47 +01:00 |
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ebbc31eafa
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Optimizing een value
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2024-12-10 18:22:34 +01:00 |
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cc8fb8efa0
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Merge branch 'master' of github.com:EmielSlootman/qmckl
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2024-12-10 17:38:57 +01:00 |
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e3ecd049cb
|
Cleaning
|
2024-12-10 17:38:53 +01:00 |
|
Emiel Slootman
|
1011c8c8bc
|
all tests passing
|
2024-12-10 16:21:02 +01:00 |
|
Emiel Slootman
|
f20921269a
|
working 3 body!
|
2024-12-10 16:03:42 +01:00 |
|
Emiel Slootman
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0ee92ca5aa
|
added more tests
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2024-12-10 09:46:21 +01:00 |
|
Emiel Slootman
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c0f4d095d3
|
progress
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2024-12-09 22:43:03 +01:00 |
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