|
|
0f1cf7d147
|
Fixed wrong dimensions
|
2022-11-18 13:30:54 +01:00 |
|
|
|
1b93955506
|
Fixed unused variable ‘rc’
|
2022-11-18 09:28:13 +01:00 |
|
|
|
6fb14c9a3a
|
Fixed Jastrow with asymptotic values
|
2022-11-17 19:20:12 +01:00 |
|
|
|
da2d8f6250
|
1-body jastrow dimensioned by nucl type
|
2022-11-17 16:54:49 +01:00 |
|
|
|
5a6d064ce0
|
Added asymp_a
|
2022-11-17 15:45:22 +01:00 |
|
|
|
a19b1804ad
|
Fix CI
|
2022-11-16 22:16:14 +01:00 |
|
|
|
fab7df908b
|
Cleaning Jastrow
|
2022-11-16 17:54:59 +01:00 |
|
|
|
841e756420
|
Renaming *ord_v* in Jastrow
|
2022-11-16 11:58:44 +01:00 |
|
|
|
e66950bbea
|
Fixed Fortran interface of Jastrow (2)
|
2022-11-14 15:06:58 +01:00 |
|
|
|
a3a649898f
|
Fixed Fortran interface of Jastrow
|
2022-11-14 15:01:56 +01:00 |
|
|
|
d69e4ca2a5
|
Introduce Fortran interface for Jastrow
|
2022-11-14 14:57:16 +01:00 |
|
|
|
858bdbf7f4
|
Cleaned qmckl_dgemm integration
|
2022-09-22 16:43:57 +02:00 |
|
|
|
368604633d
|
Moved rescale factors in Jastrow, removed kappa from names
|
2022-09-09 13:55:07 +02:00 |
|
|
|
9f4731ff94
|
Make eN scaling nucleus-specific
|
2022-09-08 14:05:09 +02:00 |
|
|
|
60ef0dc7a6
|
Redesign walkers
|
2022-08-07 15:28:00 +02:00 |
|
|
|
cdd3d91e3a
|
Fix Jastrow test
|
2022-07-11 10:09:34 +02:00 |
|
|
|
8ee9e9dcca
|
check mask in jastrow
|
2022-07-09 11:34:38 +02:00 |
|
|
|
2784e894d4
|
python -> python3
|
2022-06-07 15:55:48 +02:00 |
|
|
|
d1e88ad475
|
Fixed efence compilation
|
2022-05-06 11:29:46 +02:00 |
|
|
|
2ea9e50421
|
Fixed cppcheck
|
2022-05-06 00:15:40 +02:00 |
|
Aurelien Delval
|
ad531dddf9
|
Configure cuBLAS with --enable-gpu and clean code
|
2022-04-08 11:11:15 +02:00 |
|
Max Hoffer
|
9b806aa071
|
Merge branch 'gpu' into gpu
|
2022-04-08 10:43:42 +02:00 |
|
hoffer
|
d4f0ccee3b
|
Add cublas batch Dgemm
|
2022-04-08 10:44:48 +02:00 |
|
|
|
07cc64bb31
|
Changed enable-cublas into with-cublas
|
2022-04-08 10:32:38 +02:00 |
|
hoffer
|
69b9e0fb89
|
Add cublas batched
|
2022-04-07 18:44:59 +02:00 |
|
Gianfranco Abrusci
|
4ee83a48d0
|
Merge branch 'gpu' into jastrow_hpc
|
2022-04-07 18:43:11 +02:00 |
|
|
|
185c1c3cb7
|
Merge branch 'gpu' of github.com:TREX-CoE/qmckl into gpu
Conflicts:
org/qmckl_jastrow.org
|
2022-04-07 17:07:41 +02:00 |
|
|
|
47d63aa9d3
|
Fix cublas
|
2022-04-07 17:02:36 +02:00 |
|
Gianfranco Abrusci
|
0a3f427ace
|
removed unused variable in doc and hpc of compute_factor_ee_deriv_e
|
2022-04-07 16:21:29 +02:00 |
|
Gianfranco Abrusci
|
61495786db
|
merged gpu with compute_factor_ee_deriv_e
|
2022-04-07 15:51:50 +02:00 |
|
Gianfranco Abrusci
|
12ccb09b86
|
test passed
|
2022-04-07 15:41:22 +02:00 |
|
Aurelien Delval
|
3cd30bc8f3
|
Fix OpenACC and OpenMP implementations
|
2022-04-07 13:57:20 +02:00 |
|
|
|
a7fac59f04
|
Merge branch 'gpu' of github.com:TREX-CoE/qmckl into gpu
|
2022-04-07 13:35:08 +02:00 |
|
|
|
7dc02571e9
|
Fix build
|
2022-04-07 13:33:50 +02:00 |
|
|
|
d1dc35eaa4
|
First working OpenMP version
|
2022-04-06 17:58:05 +02:00 |
|
Max Hoffer
|
7aad2a79a2
|
Merge branch 'gpu' into gpu
|
2022-04-06 17:17:16 +02:00 |
|
|
|
aeec721774
|
Merge branch 'gpu' of github.com:TREX-CoE/qmckl into gpu
|
2022-04-06 17:11:26 +02:00 |
|
|
|
3ea90bc4a5
|
OpenMP
|
2022-04-06 17:11:21 +02:00 |
|
|
|
9cef7048d3
|
Fix CI
|
2022-04-06 17:10:23 +02:00 |
|
hoffer
|
fe277b7a6e
|
Ok for openmp and Cublas
|
2022-04-06 17:04:00 +02:00 |
|
|
|
88e8404b2a
|
Merge branch 'gpu' of github.com:TREX-CoE/qmckl into gpu
|
2022-04-06 16:38:19 +02:00 |
|
|
|
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
|
2022-04-06 14:13:24 +02:00 |
|
Gianfranco Abrusci
|
b79a23897d
|
qmckl_compute_een_rescaled_e_hpc (c version) working
|
2022-04-06 14:01:13 +02:00 |
|
|
|
0d5d14b8e4
|
Fix openacc
|
2022-04-06 11:51:36 +02:00 |
|
hoffer
|
39bcc569e0
|
Start implementing cublas
|
2022-04-06 11:16:17 +02:00 |
|
|
|
0966e1e2b1
|
Fix OpenACC
|
2022-04-06 10:42:00 +02:00 |
|
2323
|
72fad819bf
|
Fix flags
|
2022-04-06 10:03:56 +02:00 |
|
