Commits · f79a7104bead4983f252ba2b39227e687698a377 · docking / ocladock

11 Apr, 2018 1 commit
- corrections + code-restructure in grad · f79a7104
  Leonardo Solis authored Apr 10, 2018
  
  f79a7104
10 Apr, 2018 1 commit
- cleaned up and minor corrections · d266192b
  Leonardo Solis authored Apr 09, 2018
  
  d266192b
07 Apr, 2018 3 commits
- first-version all gradiant integrated - apparently working correctly · cd23a9ad
  Leonardo Solis authored Apr 06, 2018
  
  cd23a9ad
- added kernel_gradients in the ocl string · a9ca2fd8
  Leonardo Solis authored Apr 06, 2018
  
  a9ca2fd8
- update kernel_gradient · 071eec04
  Leonardo Solis authored Apr 06, 2018
  
  071eec04
06 Apr, 2018 5 commits
- added gradient of torsion genes · 94f118a7
  Leonardo Solis authored Apr 06, 2018
  
  94f118a7
- corrected mutation and LS of genes Shoemake u2&u3 · b3861730
  Leonardo Solis authored Apr 06, 2018
  
  b3861730
- redefined Shoemake genes limits all [0,1] · 21ab85f0
  Leonardo Solis authored Apr 06, 2018
  
  21ab85f0
- cleaned energy calculation function · 7f3818e0
  Leonardo Solis authored Apr 06, 2018
  
  7f3818e0
- added minimizer partly + grid gradients · 916cf313
  Leonardo Solis authored Apr 05, 2018
  
  916cf313
05 Apr, 2018 3 commits
- updated .gitignore · 4a0a47cb
  Leonardo Solis authored Apr 05, 2018
  
  4a0a47cb
- added penalty to gradient if atom out of gridbox · d229f136
  Leonardo Solis authored Apr 05, 2018
  
  d229f136
- added grad-calc for grids (inter) and args · 753aa573
  Leonardo Solis authored Apr 04, 2018
  
  753aa573
04 Apr, 2018 4 commits
- mutation and LS modify u1 gene as 0.2f · cfc9bc52
  Leonardo Solis authored Apr 04, 2018
  
  cfc9bc52
- solved segfault by limiting value of u1 into 0.1-0.9 · f9234691
  Leonardo Solis authored Apr 04, 2018
  
  f9234691
- cleaned up · 6c601854
  Leonardo Solis authored Apr 03, 2018
  
  6c601854
- first version in Shoemake-space for rotation genes, works nrun=5, popsize=10 · 6d8cf12e
  Leonardo Solis authored Apr 03, 2018
  
  6d8cf12e
03 Apr, 2018 2 commits
- transfomed into shoemake in getparameters.cpp · d3275d6f
  Leonardo Solis authored Apr 02, 2018
  
  d3275d6f
- added test rule in Makefile · dcb0e1cc
  Leonardo Solis authored Apr 02, 2018
  
  dcb0e1cc
29 Mar, 2018 1 commit
- correction torsion-tsri · 93199dc1
  Leonardo Solis authored Mar 29, 2018
  
  93199dc1
25 Jan, 2018 1 commit
- updated prebuilts including 128 & 256wi · 87affbaf
  lvs authored Jan 25, 2018
  
  87affbaf
18 Jan, 2018 4 commits
- Update readme_developers.md · 34977468
  Leonardo Solis authored Jan 18, 2018
  
  34977468
- Update README.md · 1c027fb6
  Leonardo Solis authored Jan 18, 2018
  
  1c027fb6
- fixed #11 , added support for 256wi · c0ef628b
  lvs authored Jan 18, 2018
  
  c0ef628b
- solved #10 · 13cf53f5
  lvs authored Jan 18, 2018
  
  13cf53f5
22 Nov, 2017 1 commit
- Update readme_developers.md · bcf40428
  Leonardo Solis authored Nov 22, 2017
  
  bcf40428
12 Nov, 2017 14 commits
- Update readme_users.md · d86ec7ea
  Leonardo Solis authored Nov 12, 2017
  
  d86ec7ea
- Update readme_users.md · e0fc55e0
  Leonardo Solis authored Nov 12, 2017
  
  e0fc55e0
- Update readme_developers.md · ed852f80
  Leonardo Solis authored Nov 12, 2017
  
  ed852f80
- Update readme_developers.md · 18ffce7e
  Leonardo Solis authored Nov 12, 2017
  
  18ffce7e
- Update readme_developers.md · 4087ecec
  Leonardo Solis authored Nov 12, 2017
  
  4087ecec
- Update readme_developers.md · 52d6d0cd
  Leonardo Solis authored Nov 12, 2017
  
  52d6d0cd
- Update readme_developers.md · 51a51811
  Leonardo Solis authored Nov 12, 2017
  
  51a51811
- Update readme_developers.md · dc530391
  Leonardo Solis authored Nov 12, 2017
  
  dc530391
- Update readme_developers.md · f6ad839b
  Leonardo Solis authored Nov 12, 2017
  
  f6ad839b
- Update readme_developers.md · fdc692c2
  Leonardo Solis authored Nov 12, 2017
  
  fdc692c2
- Update readme_developers.md · a347c1bb
  Leonardo Solis authored Nov 12, 2017
  
  a347c1bb
- Update readme_developers.md · 0fda6a30
  Leonardo Solis authored Nov 12, 2017
  
  0fda6a30
- Update readme_developers.md · 81611252
  Leonardo Solis authored Nov 12, 2017
  
  81611252
- Update readme_developers.md · 3e5f2871
  Leonardo Solis authored Nov 12, 2017
  
  3e5f2871