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aecf0215fb
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Uninitialized value
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2023-01-26 18:45:09 +01:00 |
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6da1b73442
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Cleaning
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2023-01-26 18:42:34 +01:00 |
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858ea62a0a
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Shadowing variables
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2023-01-26 18:19:24 +01:00 |
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93083fbdfe
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Fixed shadowed variables
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2023-01-26 17:55:06 +01:00 |
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8a0a7585f9
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Fixed memory leak in een_rescaled_e_ij
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2023-01-26 17:49:24 +01:00 |
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0f1cf7d147
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Fixed wrong dimensions
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2022-11-18 13:30:54 +01:00 |
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1b93955506
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Fixed unused variable ‘rc’
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2022-11-18 09:28:13 +01:00 |
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6fb14c9a3a
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Fixed Jastrow with asymptotic values
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2022-11-17 19:20:12 +01:00 |
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da2d8f6250
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1-body jastrow dimensioned by nucl type
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2022-11-17 16:54:49 +01:00 |
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5a6d064ce0
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Added asymp_a
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2022-11-17 15:45:22 +01:00 |
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a19b1804ad
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Fix CI
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2022-11-16 22:16:14 +01:00 |
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fab7df908b
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Cleaning Jastrow
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2022-11-16 17:54:59 +01:00 |
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841e756420
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Renaming *ord_v* in Jastrow
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2022-11-16 11:58:44 +01:00 |
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e66950bbea
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Fixed Fortran interface of Jastrow (2)
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2022-11-14 15:06:58 +01:00 |
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a3a649898f
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Fixed Fortran interface of Jastrow
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2022-11-14 15:01:56 +01:00 |
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d69e4ca2a5
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Introduce Fortran interface for Jastrow
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2022-11-14 14:57:16 +01:00 |
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858bdbf7f4
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Cleaned qmckl_dgemm integration
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2022-09-22 16:43:57 +02:00 |
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368604633d
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Moved rescale factors in Jastrow, removed kappa from names
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2022-09-09 13:55:07 +02:00 |
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9f4731ff94
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Make eN scaling nucleus-specific
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2022-09-08 14:05:09 +02:00 |
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60ef0dc7a6
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Redesign walkers
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2022-08-07 15:28:00 +02:00 |
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cdd3d91e3a
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Fix Jastrow test
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2022-07-11 10:09:34 +02:00 |
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8ee9e9dcca
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check mask in jastrow
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2022-07-09 11:34:38 +02:00 |
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2784e894d4
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python -> python3
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2022-06-07 15:55:48 +02:00 |
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d1e88ad475
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Fixed efence compilation
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2022-05-06 11:29:46 +02:00 |
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2ea9e50421
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Fixed cppcheck
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2022-05-06 00:15:40 +02:00 |
|
Aurelien Delval
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ad531dddf9
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Configure cuBLAS with --enable-gpu and clean code
|
2022-04-08 11:11:15 +02:00 |
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Max Hoffer
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9b806aa071
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Merge branch 'gpu' into gpu
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2022-04-08 10:43:42 +02:00 |
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hoffer
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d4f0ccee3b
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Add cublas batch Dgemm
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2022-04-08 10:44:48 +02:00 |
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07cc64bb31
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Changed enable-cublas into with-cublas
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2022-04-08 10:32:38 +02:00 |
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hoffer
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69b9e0fb89
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Add cublas batched
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2022-04-07 18:44:59 +02:00 |
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Gianfranco Abrusci
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4ee83a48d0
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Merge branch 'gpu' into jastrow_hpc
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2022-04-07 18:43:11 +02:00 |
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185c1c3cb7
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Merge branch 'gpu' of github.com:TREX-CoE/qmckl into gpu
Conflicts:
org/qmckl_jastrow.org
|
2022-04-07 17:07:41 +02:00 |
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47d63aa9d3
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Fix cublas
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2022-04-07 17:02:36 +02:00 |
|
Gianfranco Abrusci
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0a3f427ace
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removed unused variable in doc and hpc of compute_factor_ee_deriv_e
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2022-04-07 16:21:29 +02:00 |
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Gianfranco Abrusci
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61495786db
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merged gpu with compute_factor_ee_deriv_e
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2022-04-07 15:51:50 +02:00 |
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Gianfranco Abrusci
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12ccb09b86
|
test passed
|
2022-04-07 15:41:22 +02:00 |
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Aurelien Delval
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3cd30bc8f3
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Fix OpenACC and OpenMP implementations
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2022-04-07 13:57:20 +02:00 |
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a7fac59f04
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Merge branch 'gpu' of github.com:TREX-CoE/qmckl into gpu
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2022-04-07 13:35:08 +02:00 |
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7dc02571e9
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Fix build
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2022-04-07 13:33:50 +02:00 |
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d1dc35eaa4
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First working OpenMP version
|
2022-04-06 17:58:05 +02:00 |
|
Max Hoffer
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7aad2a79a2
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Merge branch 'gpu' into gpu
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2022-04-06 17:17:16 +02:00 |
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aeec721774
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Merge branch 'gpu' of github.com:TREX-CoE/qmckl into gpu
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2022-04-06 17:11:26 +02:00 |
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3ea90bc4a5
|
OpenMP
|
2022-04-06 17:11:21 +02:00 |
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9cef7048d3
|
Fix CI
|
2022-04-06 17:10:23 +02:00 |
|
hoffer
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fe277b7a6e
|
Ok for openmp and Cublas
|
2022-04-06 17:04:00 +02:00 |
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88e8404b2a
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Merge branch 'gpu' of github.com:TREX-CoE/qmckl into gpu
|
2022-04-06 16:38:19 +02:00 |
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cc5f6914f6
|
Cleaning
|
2022-04-06 16:26:35 +02:00 |
|
hoffer
|
3b5221531c
|
Add openmp and cublas
|
2022-04-06 16:20:29 +02:00 |
|
Gianfranco Abrusci
|
e496667189
|
debugging factor_ee_deriv_e
|
2022-04-06 15:59:12 +02:00 |
|
Gianfranco Abrusci
|
ff6d2e17f2
|
Merge branch 'gpu' into jastrow_hpc
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2022-04-06 14:13:24 +02:00 |
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