Commits

Breadcrumbs

History for

on0226476

User selector

All users

Datepicker

All time

Commit History

Commits on Sep 19, 2023

• Report status during minimization (openmm#4207)

  Show description for b247e7d
  peastman

  authored
  b247e7d

Commits on Sep 16, 2023

• CustomCPPForceImpl for writing forces in C++ (openmm#4231)

  Show description for 9a0db72
  peastman

  authored
  9a0db72

Commits on Aug 28, 2023

• Fixed bug in CustomIntegrator detecting changes to context parameters (openmm#4206)

  peastman

  authored
  a0c7a7c

Commits on Aug 18, 2023

• Amoeba and ATM Force minor cleanup (openmm#4195)

  Show description for f2bdcc7
  bdenhollander

  authored
  f2bdcc7

Commits on Aug 16, 2023

• Optimized Context creation with complex CustomIntegrators (openmm#4191)

  peastman

  authored
  065e34a

Commits on Aug 2, 2023

• Draft integration of the Alchemical Transfer Method (ATM) plugin (openmm#4110)

  Show description for d8c6769
  

  3 peopleauthored
  d8c6769

Commits on May 23, 2023

• Skip neighbor list for very small systems (openmm#4070)

  Show description for 655518c
  peastman

  authored
  655518c

Commits on May 18, 2023

• Faster implementation of CustomHbondForce (openmm#4060)

  Show description for b4c5430
  peastman

  authored
  b4c5430

Commits on Jan 5, 2023

• Minimizer does not move constrained massless particles (openmm#3886)

  peastman

  authored
  d1678fb

Commits on Sep 8, 2022

• Clarified multiple forces with the same global parameter (openmm#3769)

  peastman

  authored
  9d9ffb0

Commits on Jul 26, 2022

• CustomCVForce avoids breaking up molecules (openmm#3711)

  peastman

  authored
  ae34183

Commits on May 19, 2022

• Made a test case slightly more accurate (openmm#3608)

  peastman

  authored
  b096cd7

Commits on Apr 17, 2022

• Vectorize nonbonded interactions with no cutoff (openmm#3575)

  Show description for db4cefd
  peastman

  authored
  db4cefd

Commits on Apr 10, 2022

• Vectorize custom expressions on CPU (openmm#3552)

  Show description for aafb8b5
  peastman

  authored
  aafb8b5

Commits on Mar 30, 2022

• Added a few Lepton tests (openmm#3538)

  peastman

  authored
  fd13a65

Commits on Jan 27, 2022

• CustomNonbondedForce supports computed values (openmm#3412)

  Show description for 33c694d
  peastman

  authored
  33c694d

Commits on Nov 2, 2021

• updateParametersInContext() can change tabulated functions (openmm#3307)

  Show description for 27bcb65
  peastman

  authored
  27bcb65

Commits on Oct 18, 2021

• Added lots of checks for invalid parameter values (openmm#3286)

  Show description for 610e92f
  peastman

  authored
  610e92f

Commits on Oct 14, 2021

• Created MonteCarloFlexibleBarostat (openmm#3284)

  Show description for 9270d59
  peastman

  authored
  9270d59

Commits on Sep 30, 2021

• Barostat does not translate into a single periodic box (openmm#3260)

  peastman

  authored
  aa8264d

Commits on Jul 23, 2021

• Fixed compilation error in kernel with CustomIntegrator (openmm#3187)

  peastman

  authored
  245f18c

Commits on Jul 15, 2021

• Allow disabling the direct space calculation in NonbondedForce (openmm#3173)

  peastman

  authored
  1344f2e

Commits on Mar 12, 2021

• Fix compilation error in test (openmm#3058)

  peastman

  authored
  fee1e06

Commits on Feb 28, 2021

• Point based geometric functions for custom forces (openmm#3037)

  Show description for a85c242
  peastman

  authored
  a85c242

Commits on Feb 2, 2021

• Fixed test failures on CPU OpenCL (openmm#3003)

  peastman

  authored
  ac67d17

Commits on Nov 25, 2020

• Fixed error using periodic exceptions with PME (openmm#2935)

  peastman

  authored
  b49b82e

Commits on Sep 3, 2020

• CCMA with a small number of constraints uses a single kernel (openmm#2818)

  Show description for b3d9846
  peastman

  authored
  b3d9846

Commits on Aug 20, 2020

• Fixed range overflow with very large numbers of atoms (openmm#2806)

  Show description for cdc0789
  peastman

  authored
  cdc0789

Commits on Aug 18, 2020

• Updated to latest values for physical constants (openmm#2802)

  Show description for b4543a4
  peastman

  authored
  b4543a4

Commits on Jul 28, 2020

• States can save integrator parameters

  peastman

  committed
  694c393

Commits on Jun 26, 2020

• resolved PR openmm#2611 merge conflicts

  craabreu

  committed
  5270f85

Commits on Jun 24, 2020

• Tests for periodic tabulated functions

  craabreu

  committed
  112fd21

• Tests for 2D/3D periodic spline filters

  craabreu

  committed
  0109698

• Elimination of setPeriodic method in tabulated functions

  craabreu

  committed
  b3176be

Commits on Jun 9, 2020

• CPU: Added support for AVX2.

  dwtowner

  committed
  170ac69

Pagination

PreviousNext