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Fix cusp
github pages #394: Commit 4638b40 pushed by scemama
July 11, 2024 11:53 1m 9s master
July 11, 2024 11:53 1m 9s
Fixed bug in cusp
github pages #393: Commit 96eea27 pushed by scemama
July 11, 2024 08:55 1m 12s master
July 11, 2024 08:55 1m 12s
Fix wrong gradient at nodes of AOs
github pages #392: Commit 9553059 pushed by scemama
May 8, 2024 11:56 1m 21s master
May 8, 2024 11:56 1m 21s
CHange version
github pages #391: Commit 8c5ec87 pushed by scemama
April 10, 2024 14:38 1m 17s master
April 10, 2024 14:38 1m 17s
Removed scorecards
github pages #390: Commit 5ee297a pushed by scemama
March 29, 2024 08:27 1m 56s master
March 29, 2024 08:27 1m 56s
Removed redundant iso_c_binding
github pages #389: Commit 5040ce1 pushed by scemama
February 26, 2024 08:23 1m 34s master
February 26, 2024 08:23 1m 34s
Deactivated hpc versions woodburry
github pages #388: Commit fd9ce7e pushed by scemama
February 23, 2024 23:18 1m 43s master
February 23, 2024 23:18 1m 43s
Fix Cray fortran errors
github pages #387: Commit e0abd84 pushed by scemama
February 23, 2024 15:37 1m 11s master
February 23, 2024 15:37 1m 11s
Ordering problem in Fortran interface fixed
github pages #386: Commit b2395ec pushed by scemama
February 23, 2024 15:16 1m 31s master
February 23, 2024 15:16 1m 31s
Replaced iso_c_binding by qmckl_constants
github pages #385: Commit f745899 pushed by scemama
February 23, 2024 11:06 1m 56s master
February 23, 2024 11:06 1m 56s
Fix warnings with Cray ftn
github pages #384: Commit 83dea2b pushed by scemama
February 23, 2024 10:56 1m 11s master
February 23, 2024 10:56 1m 11s
Fixed gradient of Jastrow in HPC version
github pages #383: Commit 21f40b3 pushed by scemama
February 23, 2024 10:16 1m 11s master
February 23, 2024 10:16 1m 11s
Avoid memset in Jastrow
github pages #382: Commit e07b8bf pushed by scemama
February 20, 2024 23:01 1m 18s master
February 20, 2024 23:01 1m 18s
Improved Jastrow
github pages #381: Commit 2f0ca9f pushed by scemama
February 14, 2024 10:26 1m 15s master
February 14, 2024 10:26 1m 15s
simd
github pages #380: Commit be2a719 pushed by scemama
February 14, 2024 10:14 1m 13s master
February 14, 2024 10:14 1m 13s
Vectorization
github pages #379: Commit 2228ab2 pushed by scemama
February 14, 2024 09:59 1m 8s master
February 14, 2024 09:59 1m 8s
OpenMP in Fortran function
github pages #378: Commit 24e3f8d pushed by scemama
February 13, 2024 16:21 1m 22s master
February 13, 2024 16:21 1m 22s
Removed ivdep
github pages #377: Commit c6ea9c1 pushed by scemama
February 7, 2024 16:04 1m 25s master
February 7, 2024 16:04 1m 25s
Merge branch 'master' of github.com:TREX-CoE/qmckl
github pages #376: Commit e20be73 pushed by scemama
February 7, 2024 13:58 1m 10s master
February 7, 2024 13:58 1m 10s
Merge branch 'master' of github.com:TREX-CoE/qmckl
github pages #375: Commit 3a73e57 pushed by scemama
February 6, 2024 21:27 1m 14s master
February 6, 2024 21:27 1m 14s
Moved ivdep after omp simd
github pages #374: Commit 5060bde pushed by scemama
January 30, 2024 22:46 1m 11s master
January 30, 2024 22:46 1m 11s
Replace += by = ... + for better FMA
github pages #373: Commit dd3db96 pushed by scemama
January 30, 2024 10:31 1m 12s master
January 30, 2024 10:31 1m 12s
Improved vectorization of mo_value
github pages #372: Commit 43ebd40 pushed by scemama
January 29, 2024 11:00 1m 6s master
January 29, 2024 11:00 1m 6s
Merge branch 'master' of github.com:TREX-CoE/qmckl
github pages #371: Commit 098b6de pushed by scemama
January 11, 2024 13:33 1m 6s master
January 11, 2024 13:33 1m 6s
Update README.md
github pages #370: Commit 7e1dad0 pushed by scemama
January 9, 2024 07:19 1m 13s master
January 9, 2024 07:19 1m 13s