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Fix cusp
Verificarlo CI (master) #262: Commit 4638b40 pushed by scemama
July 11, 2024 11:53 6m 20s master
July 11, 2024 11:53 6m 20s
Fixed bug in cusp
Verificarlo CI (master) #261: Commit 96eea27 pushed by scemama
July 11, 2024 08:55 6m 44s master
July 11, 2024 08:55 6m 44s
Fix wrong gradient at nodes of AOs
Verificarlo CI (master) #260: Commit 9553059 pushed by scemama
May 8, 2024 11:56 6m 27s master
May 8, 2024 11:56 6m 27s
CHange version
Verificarlo CI (master) #259: Commit 8c5ec87 pushed by scemama
April 10, 2024 14:38 6m 40s master
April 10, 2024 14:38 6m 40s
Removed scorecards
Verificarlo CI (master) #258: Commit 5ee297a pushed by scemama
March 29, 2024 08:27 6m 17s master
March 29, 2024 08:27 6m 17s
Removed redundant iso_c_binding
Verificarlo CI (master) #257: Commit 5040ce1 pushed by scemama
February 26, 2024 08:23 6m 29s master
February 26, 2024 08:23 6m 29s
Deactivated hpc versions woodburry
Verificarlo CI (master) #256: Commit fd9ce7e pushed by scemama
February 23, 2024 23:18 5m 55s master
February 23, 2024 23:18 5m 55s
Fix Cray fortran errors
Verificarlo CI (master) #255: Commit e0abd84 pushed by scemama
February 23, 2024 15:37 6m 12s master
February 23, 2024 15:37 6m 12s
Ordering problem in Fortran interface fixed
Verificarlo CI (master) #254: Commit b2395ec pushed by scemama
February 23, 2024 15:16 6m 32s master
February 23, 2024 15:16 6m 32s
Replaced iso_c_binding by qmckl_constants
Verificarlo CI (master) #253: Commit f745899 pushed by scemama
February 23, 2024 11:06 6m 38s master
February 23, 2024 11:06 6m 38s
Fix warnings with Cray ftn
Verificarlo CI (master) #252: Commit 83dea2b pushed by scemama
February 23, 2024 10:56 6m 27s master
February 23, 2024 10:56 6m 27s
Fixed gradient of Jastrow in HPC version
Verificarlo CI (master) #251: Commit 21f40b3 pushed by scemama
February 23, 2024 10:16 6m 10s master
February 23, 2024 10:16 6m 10s
Avoid memset in Jastrow
Verificarlo CI (master) #250: Commit e07b8bf pushed by scemama
February 20, 2024 23:01 6m 29s master
February 20, 2024 23:01 6m 29s
Improved Jastrow
Verificarlo CI (master) #249: Commit 2f0ca9f pushed by scemama
February 14, 2024 10:26 6m 17s master
February 14, 2024 10:26 6m 17s
simd
Verificarlo CI (master) #248: Commit be2a719 pushed by scemama
February 14, 2024 10:14 6m 48s master
February 14, 2024 10:14 6m 48s
Vectorization
Verificarlo CI (master) #247: Commit 2228ab2 pushed by scemama
February 14, 2024 09:59 6m 24s master
February 14, 2024 09:59 6m 24s
OpenMP in Fortran function
Verificarlo CI (master) #246: Commit 24e3f8d pushed by scemama
February 13, 2024 16:21 6m 26s master
February 13, 2024 16:21 6m 26s
Removed ivdep
Verificarlo CI (master) #245: Commit c6ea9c1 pushed by scemama
February 7, 2024 16:04 6m 29s master
February 7, 2024 16:04 6m 29s
Merge branch 'master' of github.com:TREX-CoE/qmckl
Verificarlo CI (master) #244: Commit e20be73 pushed by scemama
February 7, 2024 13:58 6m 20s master
February 7, 2024 13:58 6m 20s
Merge branch 'master' of github.com:TREX-CoE/qmckl
Verificarlo CI (master) #243: Commit 3a73e57 pushed by scemama
February 6, 2024 21:27 6m 23s master
February 6, 2024 21:27 6m 23s
Moved ivdep after omp simd
Verificarlo CI (master) #242: Commit 5060bde pushed by scemama
January 30, 2024 22:46 6m 51s master
January 30, 2024 22:46 6m 51s
Replace += by = ... + for better FMA
Verificarlo CI (master) #241: Commit dd3db96 pushed by scemama
January 30, 2024 10:31 6m 34s master
January 30, 2024 10:31 6m 34s
Improved vectorization of mo_value
Verificarlo CI (master) #240: Commit 43ebd40 pushed by scemama
January 29, 2024 11:00 6m 13s master
January 29, 2024 11:00 6m 13s
Merge branch 'master' of github.com:TREX-CoE/qmckl
Verificarlo CI (master) #239: Commit 098b6de pushed by scemama
January 11, 2024 13:33 6m 23s master
January 11, 2024 13:33 6m 23s
Update README.md
Verificarlo CI (master) #238: Commit 7e1dad0 pushed by scemama
January 9, 2024 07:19 6m 33s master
January 9, 2024 07:19 6m 33s