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e009322467
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Threshold in tests
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2024-12-14 16:45:53 +01:00 |
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a269d11264
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Minor changes
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2024-12-14 16:31:28 +01:00 |
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d3ac2a01e5
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Fixing HPC version of jast grad only
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2024-12-14 15:33:34 +01:00 |
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26f913518a
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Context is value
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2024-12-14 15:23:05 +01:00 |
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6ad40e0cf2
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Fixed HPC
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2024-12-14 14:50:20 +01:00 |
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bae64e75ab
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Introduced gradient only
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2024-12-14 11:51:46 +01:00 |
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d04e08c097
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Simplify Fortran
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2024-12-14 11:29:34 +01:00 |
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63f4b9ed6b
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Fixed python
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2024-12-14 01:25:44 +01:00 |
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8086c2078e
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Fixed HPC function
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2024-12-14 00:33:18 +01:00 |
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243e937356
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Fixed memset
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2024-12-13 18:07:21 +01:00 |
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b20373b02d
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Lower tolerance doc vs hpc
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2024-12-13 17:55:35 +01:00 |
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2402b064b2
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Fixed HPC Jastrow
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2024-12-13 17:46:06 +01:00 |
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fb86c01008
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Debugging CI
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2024-12-13 16:44:02 +01:00 |
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7ea3123ebe
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Flush
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2024-12-13 16:41:51 +01:00 |
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f72973b32f
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Debugging CI
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2024-12-13 16:08:03 +01:00 |
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73a1603138
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Debugging CI
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2024-12-13 15:18:45 +01:00 |
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29877ee1e5
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Debugging CI
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2024-12-13 15:09:34 +01:00 |
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5ae5e187c4
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Minor changes
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2024-12-13 14:41:51 +01:00 |
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53c7bc7e9a
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Fixed een_gl
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2024-12-13 14:36:51 +01:00 |
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85e1261916
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pragmas
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2024-12-13 03:10:10 +01:00 |
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71de52c39f
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Introduced many tests in Jastrow
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2024-12-13 03:00:01 +01:00 |
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edf40dc6ff
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Introduced many tests
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2024-12-13 01:13:54 +01:00 |
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d76fb10f61
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Cleaning Jastrow functions
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2024-12-12 18:10:00 +01:00 |
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a10f724573
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Added test for factor_en_gl
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2024-12-12 17:27:10 +01:00 |
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8acdd4ed7a
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Test for ee_distance_rescaled_gl
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2024-12-12 17:06:15 +01:00 |
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2820978da6
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Fixed bug in Jastrow
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2024-11-04 16:44:28 +01:00 |
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574cde88e5
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Removed redundant iso_c_binding
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2024-02-24 00:58:11 +02:00 |
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83dea2b773
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Fix warnings with Cray ftn
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2024-02-23 11:56:28 +01:00 |
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21f40b3a13
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Fixed gradient of Jastrow in HPC version
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2024-02-21 16:33:49 +01:00 |
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e07b8bfa55
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Avoid memset in Jastrow
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2024-02-20 23:59:28 +01:00 |
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41615ba14b
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Avoid memset in Jastrow
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2024-02-20 23:38:34 +01:00 |
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2f0ca9f674
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Improved Jastrow
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2024-02-14 11:26:10 +01:00 |
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be2a7199c2
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simd
|
2024-02-14 11:11:50 +01:00 |
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2228ab23c5
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Vectorization
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2024-02-14 10:59:31 +01:00 |
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48b80f68f1
|
HPC implementation in Jastrow
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2024-02-14 09:31:06 +01:00 |
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24e3f8dd11
|
OpenMP in Fortran function
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2024-02-13 17:21:53 +01:00 |
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949cfb6f82
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Accelerated Jastrow (OpenMP)
|
2024-02-13 17:07:59 +01:00 |
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dd3db966b0
|
Replace += by = ... + for better FMA
|
2024-01-30 11:31:07 +01:00 |
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eaa44b45c4
|
Fixed bug in Jastrow en HPC
|
2023-09-27 22:12:26 +02:00 |
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c70b7b246b
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Fixed Jastrow GL for spin-independent Jastrow
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2023-09-27 15:56:37 +02:00 |
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89a4a57c32
|
Added spin-independent Jastrow
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2023-09-26 17:32:51 +02:00 |
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ad378103a5
|
Fixed cast
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2023-09-26 16:25:24 +02:00 |
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1dc1c0f192
|
Fixed warning with Clang
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2023-09-26 16:10:37 +02:00 |
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233edeeae2
|
Fixed warning with Clang
|
2023-09-26 16:02:10 +02:00 |
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ab596fe408
|
Fix CI
|
2023-09-26 15:18:22 +02:00 |
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50fa3aa754
|
Introduced qmckl_constants module
|
2023-09-22 09:33:54 +02:00 |
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7a995a0f6b
|
Simplify Fortran call
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2023-09-21 13:02:13 +02:00 |
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0d2327cae3
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Accelerated 1-body Jastrow
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2023-09-21 12:37:57 +02:00 |
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6939891ac3
|
Bug in J_gl
|
2023-09-14 17:41:45 +02:00 |
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d77dc26e52
|
Fix bugs for Python and Jastrow
|
2023-09-13 16:22:23 +02:00 |
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