Commits · 4001e92c655d820db7dcef0b8579d3d53a710631 · tbgl / tools / arbd

Oct 23, 2016

Implemented "particleLists" for rigid body--particle interactions; made... · 4001e92c

cmaffeo2 authored 8 years ago

Implemented "particleLists" for rigid body--particle interactions; made RigidBodyType class manage its own device data for particle interactions

4001e92c

Oct 19, 2016
- Converted units to NAMD style (except time, which is ns) · 330b653c
  cmaffeo2 authored 8 years ago
  
  330b653c
- Fixed issues with coordinate wrapping during integration; improved... · a07ceae2
  cmaffeo2 authored 8 years ago
  
  Fixed issues with coordinate wrapping during integration; improved implementation of select matrix operations
  a07ceae2
Oct 12, 2016
- Started to add particle--rigid-body interactions; compiles but is untested · d06c3934
  cmaffeo2 authored 8 years ago
  
  d06c3934
Oct 06, 2016

Added logic to angle code to avoid singularity; improved tabulated bonded... · 1c46ffbe

cmaffeo2 authored 8 years ago

Added logic to angle code to avoid singularity; improved tabulated bonded kernel arguments; commented out (non-working) get_energy code

1c46ffbe

Sep 27, 2016
- fixed *char to const *char warnings; created list-based kernel for angles and dihedrals (untested) · ee3383f6
  cmaffeo2 authored 8 years ago
  
  ee3383f6
Jul 19, 2016
- Configuration.cpp: first attempt to reorganize the way coordinates are read in · ccc6ad02
  Maxim Belkin authored 8 years ago
  
  ccc6ad02
Jul 15, 2016
- ComputeForce class manages all GPU data for the system. Tested successfully for bonds tests. · b35d7abb
  eguzman6 authored 8 years ago
  
  b35d7abb
Jul 07, 2016
- fixed valgrind bug due to uninitialized variable numPartsFromFile · b470aa3b
  cmaffeo2 authored 8 years ago
  
  b470aa3b
Jul 05, 2016
- implemented bondList functionality, be aware of memory error. · 94748858
  eguzman6 authored 8 years ago
  
  94748858
Jun 22, 2016
- seperated ComputedTabulatedBonds into its own kernel. · f5084566
  eguzman6 authored 8 years ago
  
  f5084566
Jan 04, 2016
- added code to scale; cleaned up grid-adding code · 3be0de42
  cmaffeo2 authored 9 years ago
  
  3be0de42
- added pmfs for rigid bodies! · ff11ff2b
  cmaffeo2 authored 9 years ago
  
  ff11ff2b
- code appears to work; much to be done; force evaluation, integration need to be tested · f891f45d
  cmaffeo2 authored 9 years ago
  
  f891f45d
Dec 10, 2015
- rough code for grid-grid force calculation · 19111faa
  cmaffeo2 authored 9 years ago
  
  19111faa
Nov 20, 2015
- moved cuda copy for rigidbodies to controller · a7b70851
  cmaffeo2 authored 9 years ago
  
  a7b70851
Nov 17, 2015
- worked on rigidbody classes · bba585bb
  cmaffeo2 authored 9 years ago
  
  bba585bb
Nov 13, 2015
- starting work on grid-grid kernel · 9c9cbc1e
  cmaffeo2 authored 9 years ago
  
  9c9cbc1e
- transfer rigid bodies with potential grids + data to GPU · 38af9196
  cmaffeo2 authored 9 years ago
  
  38af9196
Nov 11, 2015
- copying memory for RB to device compiles · a8a60fa4
  cmaffeo2 authored 9 years ago
  
  a8a60fa4
Nov 06, 2015
- --amend · c342db71
  cmaffeo2 authored 9 years ago
  
  c342db71
- broken: beginning to integrate RB code · 4b132126
  cmaffeo2 authored 9 years ago
  
  4b132126
Nov 03, 2015
- initial commit: svn r22959 · ffdf082a
  cmaffeo2 authored 9 years ago
  
  ffdf082a