Commits · ec1b6e9d5379ced4200ff0fcd82c78d1c00fb7eb · tbgl / tools / arbd

Feb 08, 2023
- Macro USE_BOOST for boost::unordered_map rather than std::map for configuring productPotential · 19493c05
  cmaffeo2 authored 4 years ago
  
  19493c05
- Changed name to product potential · 4e126a49
  cmaffeo2 authored 4 years ago
  
  4e126a49
- Initial implementation of crossPotential · b571bf79
  cmaffeo2 authored 4 years ago
  
  b571bf79
- Initial implementation of BondAngle potentials (energy is product of angle and bond potentials) · b4c2a348
  cmaffeo2 authored 4 years ago
  
  b4c2a348
May 07, 2021
- Commented development print statement · d26d3891
  cmaffeo2 authored 3 years ago
  
  d26d3891
Apr 27, 2021
- Many compile-time bugs fixed, some conceptual issues addressed · 1e62d8ae
  cmaffeo2 authored 3 years ago
  
  1e62d8ae
Apr 25, 2021
- Initial implementation of .bd file keywords to attach point particles to rigid bodies · 4d7b1a99
  cmaffeo2 authored 3 years ago
  
  4d7b1a99
Apr 16, 2021
- Add restartRBCoordinates keyword and .rigid file reader · 22c02ee0
  cmaffeo2 authored 3 years ago
  
  22c02ee0
Apr 01, 2021
- Share pmf grids between rigid body types · f4bba8fa
  cmaffeo2 authored 3 years ago
  
  f4bba8fa
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
- Macro USE_BOOST for boost::unordered_map rather than std::map for configuring productPotential · a5373345
  cmaffeo2 authored 4 years ago
  
  a5373345
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
- Initial implementation of BondAngle potentials (energy is product of angle and bond potentials) · 61741e7a
  cmaffeo2 authored 4 years ago
  
  61741e7a
May 10, 2018
- 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
- add some testing directories and add feature supporting multiple grid files · 64468c91
  hchou10 authored 7 years ago and cmaffeo2 committed 6 years ago
  
  Conflicts: src/Configuration.cpp src/GrandBrownTown.cu
  64468c91
Jan 03, 2018
- HYC: Updated configuration to allow choice of integrator, and input of initial momentum; uses gsl · 7095f6af
  cmaffeo2 authored 7 years ago
  
  7095f6af
Aug 21, 2017
- Added option for copying coordinates to all replicas; by default this is on · 14260aae
  cmaffeo2 authored 7 years ago
  
  14260aae
May 10, 2017
- Improved configuration.cpp reading exclusions; made BOND REPLACE work as intended (but untested) · a361c004
  cmaffeo2 authored 7 years ago
  
  a361c004
May 09, 2017
- Added configuration options for specifying system size · add098ff
  cmaffeo2 authored 8 years ago
  
  add098ff
Feb 24, 2017
- Added harmonic restraints for beads · 58c75457
  cmaffeo2 authored 8 years ago
  
  58c75457
Jan 06, 2017
- added configuration syntax for specifying gridFileScale for particles · 34d091a1
  cmaffeo2 authored 8 years ago
  
  34d091a1
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

Nov 09, 2016
- Began reorganizing project · 3e2ac53a
  cmaffeo2 authored 8 years ago
  
  3e2ac53a
Oct 28, 2016
- Added rigidBodyGridGridPeriod for less-frequent recalculation of grid-grid forces (impulse-based) · 17bee84a
  cmaffeo2 authored 8 years ago
  
  17bee84a
Oct 27, 2016

Fixed bugs in initialization of Exclusions and in the calculation of forces... · 192408a5

cmaffeo2 authored 8 years ago

Fixed bugs in initialization of Exclusions and in the calculation of forces due to angle potentials . Added coordinate file for RBs. Added normalization of orientation in RB integrator.

192408a5

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
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
Jan 04, 2016
- added code to scale; cleaned up grid-adding code · 3be0de42
  cmaffeo2 authored 9 years ago
  
  3be0de42
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 11, 2015
- copying memory for RB to device compiles · a8a60fa4
  cmaffeo2 authored 9 years ago
  
  a8a60fa4
Nov 06, 2015
- 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