Commits · 7cfdd47f92f1d64f2f40e317916de93c46536338 · tbgl / tools / arbd · GitLab

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May 04, 2021
- Removed commented code · bd134e1d
  cmaffeo2 authored 3 years ago
  
  bd134e1d
Apr 26, 2021
- Initial implementation of rigid-body attached particles in main run loop · 5c6b6ea0
  cmaffeo2 authored 3 years ago
  
  5c6b6ea0
Feb 04, 2021
- Initial implementation of group sites · bcbc3e3f
  cmaffeo2 authored 4 years ago
  
  bcbc3e3f
- Revert "Merge branch 'feat/bondangle' into release" · 29535488
  cmaffeo2 authored 4 years ago
  
  This reverts commit c6c19c64, reversing changes made to c195bf09.
  29535488
Jan 06, 2021
- Use vectors in ComputeForce for device pointers (in preparation for multigpu) · 3b90d947
  cmaffeo2 authored 4 years ago
  
  3b90d947
Aug 11, 2020
- Changed BondAngle to be the product of the energy of potentials applied to the... · af802245
  cmaffeo2 authored 4 years ago
  
  Changed BondAngle to be the product of the energy of potentials applied to the central bond and two angles formed by four particles
  af802245
- Initial implementation of BondAngle potentials (energy is product of angle and bond potentials) · 61741e7a
  cmaffeo2 authored 4 years ago
  
  61741e7a
May 10, 2018
- implement periodic boundary condition and replicas for rigid body · df6d618a
  hchou10 authored 7 years ago and cmaffeo2 committed 6 years ago
  
  df6d618a
- modify feature of computing energy and make interpolation scheme as an option · 8f5693f6
  hchou10 authored 7 years ago and cmaffeo2 committed 6 years ago
  
  Conflicts: src/Configuration.cpp src/GrandBrownTown.cu
  8f5693f6
Jan 03, 2018
- Removed gsl · f1eee601
  cmaffeo2 authored 7 years ago
  
  f1eee601
- HYC: Added Langevin particle dynamics, including momenta and kinetic energy... · 20b17db5
  cmaffeo2 authored 7 years ago
  
  HYC: Added Langevin particle dynamics, including momenta and kinetic energy routines; changed whitespace in some areas
  20b17db5
Dec 10, 2016
- Fixed bug where pairlistDistance in Confugration.cpp was not being used;... · 1cba0920
  cmaffeo2 authored 8 years ago
  
  Fixed bug where pairlistDistance in Confugration.cpp was not being used; problem still remains where CellDecompoisiont ignores pairlistDistance; added IMD forces
  1cba0920
- Fixed minor issues with build system; replaced util.cpp with WKFUtils.cpp · 73138fa3
  cmaffeo2 authored 8 years ago
  
  73138fa3
Nov 11, 2016
- Made code compile on OSX · eb7e7f6d
  James Wilson authored 8 years ago
  
  eb7e7f6d
Nov 09, 2016
- Began reorganizing project · 3e2ac53a
  cmaffeo2 authored 8 years ago
  
  3e2ac53a
Oct 19, 2016
- Converted units to NAMD style (except time, which is ns) · 330b653c
  cmaffeo2 authored 8 years ago
  
  330b653c
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 15, 2016
- ComputeForce class manages all GPU data for the system. Tested successfully for bonds tests. · b35d7abb
  eguzman6 authored 8 years ago
  
  b35d7abb
Jun 30, 2016
- computeTabulateBonds works, bug computing forces fixed, bondList is created,... · ad21c2dd
  eguzman6 authored 8 years ago
  
  computeTabulateBonds works, bug computing forces fixed, bondList is created, but not implemented yet.
  ad21c2dd
Nov 17, 2015
- worked on rigidbody classes · bba585bb
  cmaffeo2 authored 9 years ago
  
  bba585bb
Nov 03, 2015
- initial commit: svn r22959 · ffdf082a
  cmaffeo2 authored 9 years ago
  
  ffdf082a