Commits · 915cf5dcce985c16f8cccabd411b42dad55e160d · tbgl / tools / arbd · GitLab

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Aug 11, 2020
- Changed name to product potential · 915cf5dc
  cmaffeo2 authored 4 years ago
  
  915cf5dc
- Initial implementation of crossPotential · 69dac450
  cmaffeo2 authored 4 years ago
  
  69dac450
- 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
- Fix from HYC for unitcell array in trajectory writer · c195bf09
  cmaffeo2 authored 4 years ago
  
  c195bf09
Jul 31, 2020
- Reverted from _ballot_sync() to __activemask() in atomicAggInc · 638f84de
  cmaffeo2 authored 4 years ago
  
  638f84de
- Made energy files use outFilePrefix extension · fbeccea0
  cmaffeo2 authored 4 years ago
  
  fbeccea0
Jun 23, 2020
- Initialize restraintIds_d · 5cc9601f
  cmaffeo2 authored 4 years ago
  
  5cc9601f
Jun 22, 2020
- Fixed bug in angle energy · 3688eb36
  cmaffeo2 authored 4 years ago
  
  3688eb36
Jan 21, 2020
- Save memory for large systems by avoiding stencil for cells · 3b6dd193
  cmaffeo2 authored 5 years ago
  
  3b6dd193
- Merge branch 'dev' into release · 7f286867
  cmaffeo2 authored 5 years ago
  
  7f286867
- Added user-specified boundary conditions for particle gridFile; testing needed · 7aef9eee
  cmaffeo2 authored 5 years ago
  
  7aef9eee
- CudaUtil.cu works for CUDA versions < 9 · 0553b235
  cmaffeo2 authored 5 years ago
  
  0553b235
Nov 25, 2019
- Fixed wrapping code; could remove some unused functions · d3359477
  cmaffeo2 authored 5 years ago
  
  d3359477
Oct 29, 2019
- computeGridGridForce wraps about RB center, not about grid origin; may result in performance loss · d70173e8
  cmaffeo2 authored 5 years ago
  
  d70173e8
- computPartGridForce wraps about RB center, not about grid origin; may result in performance loss · ad86ad30
  cmaffeo2 authored 5 years ago
  
  ad86ad30
- Added gitattributes file · 43fe7438
  cmaffeo2 authored 5 years ago
  
  43fe7438
- Updated README · d15a61be
  cmaffeo2 authored 5 years ago
  
  d15a61be
- Fixed issues triggering various warnings · 718c7247
  cmaffeo2 authored 5 years ago
  
  718c7247
- Copied CudaUtil changes from HYC that eliminate __shfl · 4c3e5861
  cmaffeo2 authored 5 years ago
  
  4c3e5861
- Removed gsl from RigidBody::Boltzmann · 62fbcbde
  cmaffeo2 authored 5 years ago
  
  62fbcbde
Sep 30, 2019
- Abort when TabulatedPotential::countValueLines cannot open file · 0b88c2a4
  cmaffeo2 authored 5 years ago
  
  0b88c2a4
- Fixed sign error in computeTabulatedEnergyKernel · 33ce5f6e
  cmaffeo2 authored 5 years ago
  
  33ce5f6e
- Abort when TabulatedPotential::countValueLines cannot open file · cad8781f
  cmaffeo2 authored 5 years ago
  
  cad8781f
- Fixed sign error in computeTabulatedEnergyKernel · 77d9cfe2
  cmaffeo2 authored 5 years ago
  
  77d9cfe2
Jul 03, 2019
- Copied CudaUtil changes from HYC that eliminate __shfl · 742c8db3
  cmaffeo2 authored 5 years ago
  
  742c8db3
May 31, 2019
- Wrapped RB coordinates after integration · c06b53c3
  cmaffeo2 authored 5 years ago
  
  c06b53c3
Apr 25, 2019
- Yet another fix · 6dc602a5
  cmaffeo2 authored 5 years ago
  
  6dc602a5
- Fix previous commit so grid filename (and not grid key) are used by RBC · 428d610c
  cmaffeo2 authored 5 years ago
  
  428d610c
Apr 24, 2019
- Moved grids from RigidBodyType to RigidBodyController · f5b58527
  cmaffeo2 authored 5 years ago
  
  f5b58527
Apr 18, 2019
- Made gridFile scale 1.0 if unspecified · c45c578d
  cmaffeo2 authored 5 years ago
  
  c45c578d
- Merge branch 'dev' into merge-hyc-dev · 84a7f377
  cmaffeo2 authored 5 years ago
  
  Moved ForceEnergy into useful.h, added atomicAdd for ForceEnergy
  84a7f377
Mar 21, 2019
- Commented unwanted conditional in ComputeKernel that made simulations using... · 6d3e83db
  cmaffeo2 authored 6 years ago
  
  Commented unwanted conditional in ComputeKernel that made simulations using the softcore code include self-interactions
  6d3e83db
- Fixed IMD for Langevin · 92cfc4f2
  cmaffeo2 authored 6 years ago
  
  92cfc4f2
- Fixed issue with exclusions being examined in each cell · 399695f3
  cmaffeo2 authored 6 years ago
  
  399695f3
- Assign NULL to numParticles if appropriate · 7cf08626
  cmaffeo2 authored 6 years ago
  
  7cf08626
- Updated RB BD integrator to use orientation of object · 61fba98a
  cmaffeo2 authored 6 years ago
  
  61fba98a
- Fixed unit conversion in RB integrator for Langevin dynamics · 641a431b
  cmaffeo2 authored 6 years ago
  
  641a431b
- Fixed unit conversion in rigid body BD integrator · 29210d6d
  cmaffeo2 authored 6 years ago
  
  29210d6d
- Clearing forces on GPU, fixing bug in previous commit · 312b9d2f
  cmaffeo2 authored 6 years ago
  
  312b9d2f