Commits · master · docking / ocladock

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Feb 14, 2019
- #53, correction on adadelta genotype update: using fire as example · 2ce54688
  Leonardo Solis authored Feb 14, 2019
  
  2ce54688
- issue #53, added minor improvement on stdout messages · 9cecefcd
  Leonardo Solis authored Feb 14, 2019
  
  9cecefcd
Feb 13, 2019
- #53, initialize best_genos in adadelta · 3279cc66
  Leonardo Solis authored Feb 13, 2019
  
  3279cc66
- corrected data types: this removes undeterministic segfaults on cpus · 2c03e800
  Leonardo Solis authored Feb 13, 2019
  
  2c03e800
Feb 12, 2019
- #52, more typos · 4722bb58
  Leonardo Solis authored Feb 12, 2019
  
  4722bb58
Oct 11, 2018
- issue #35: merged E+G + updated fire & adadelta kernels · b2436392
  Leonardo Solis authored Oct 11, 2018
  
  b2436392
Sep 14, 2018
- gradients scaled to angstrom/radians · 2ae385a1
  lvs authored Sep 14, 2018
  
  2ae385a1
- fire: corrected · e3dbf5e0
  lvs authored Sep 14, 2018
  
  e3dbf5e0
Sep 07, 2018
- adadelta: added #defines + updated rho and epsilon · 16cbac37
  lvs authored Sep 07, 2018
  
  16cbac37
Sep 06, 2018
- added message for using #defines in ad krnl · 47ab279c
  lvs authored Sep 06, 2018
  
  47ab279c
- corrected code when enabling DEBUG_ENERGY_KERNEL · e5c5b74d
  lvs authored Sep 06, 2018
  
  e5c5b74d
Sep 03, 2018
- minor fix in SD kernel, #34 · 3df97cfe
  lvs authored Sep 03, 2018
  
  3df97cfe
- added adadelta grad minimizer · 416791ba
  lvs authored Sep 03, 2018
  
  416791ba
- renamed kernel_minimizer to kernel_sd · 169ca1f5
  lvs authored Sep 03, 2018
  
  169ca1f5
Aug 14, 2018
- solved #30 · 97764d64
  lvs authored Aug 14, 2018
  
  97764d64
- solved #30 · ebf9a4b0
  lvs authored Aug 14, 2018
  
  ebf9a4b0
Aug 13, 2018
- small correction for #31 in master · 543310cc
  lvs authored Aug 13, 2018
  
  543310cc
- added sync after asynch copies in krnls 3 & 4 & grad & fire, #31 · bd633ddd
  lvs authored Aug 13, 2018
  
  bd633ddd
- reduced to float coeffs in calcgrad, #28 · 51526b39
  lvs authored Aug 13, 2018
  
  51526b39
- corrected num elems copied with async copy in krnl1, #26 · eba872d4
  lvs authored Aug 13, 2018
  
  eba872d4
- removed large array in krnl2, fix #25 · 243b0ed7
  lvs authored Aug 13, 2018
  
  243b0ed7
- added sync after asycnh copies in krnls 3&4 · 7e56a728
  lvs authored Aug 13, 2018
  
  7e56a728
- reduced sz loc mem to the min needed in krnl1 · 38beb7b3
  lvs authored Aug 13, 2018
  
  38beb7b3
- remove large array in krnl2, fix #25 · ba17d57f
  lvs authored Aug 13, 2018
  
  ba17d57f
Jul 31, 2018
- removed dummy local variable · 3086bd52
  lvs authored Jul 31, 2018
  
  3086bd52
Jul 22, 2018
- enable back SD for real test · 3cf60b47
  lvs authored Jul 22, 2018
  
  3cf60b47
Jul 21, 2018
- added explanatory comments for #defines · 67c50f57
  lvs authored Jul 21, 2018
  
  67c50f57
Jul 20, 2018
- improved printfs + removed redundant parts · 62a9f71b
  lvs authored Jul 20, 2018
  
  62a9f71b
- SD correction: stepsize is updated after gradient calc · 28a66937
  lvs authored Jul 20, 2018
  
  28a66937
Jul 19, 2018
- added fence · 7952ef60
  lvs authored Jul 19, 2018
  
  7952ef60
- minor printf corrections · 8c013228
  lvs authored Jul 19, 2018
  
  8c013228
Jul 12, 2018
- set 2brt genotype input to the entire steepest-descent · 59edc307
  lvs authored Jul 12, 2018
  
  59edc307
Jul 10, 2018
- added+corrected steepest-descent debug · ad4c6e21
  lvs authored Jul 10, 2018
  
  ad4c6e21
- corrected error in steepest-descent · dace836e
  lvs authored Jul 10, 2018
  
  dace836e
- improved printfs + added case 2brt (4 tors) · c9b5d2e2
  lvs authored Jul 10, 2018
  
  c9b5d2e2
Jul 08, 2018
- improved printing for tor gradients · d7a0eb02
  lvs authored Jul 08, 2018
  
  d7a0eb02
Jul 07, 2018
- improved more readability · bc2a3ba8
  lvs authored Jul 07, 2018
  
  bc2a3ba8
- improved readability · 0ee425c6
  lvs authored Jul 07, 2018
  
  0ee425c6
- modified infinitesimal radian to 1e-3 · dbf5bcdd
  lvs authored Jul 07, 2018
  
  dbf5bcdd
- corrected atom-based intragrads · d472d875
  lvs authored Jul 07, 2018
  
  d472d875