Commits

Breadcrumbs

History for

onmain

User selector

All users

All time

Commit History

Commits on Feb 1, 2024

• Adds method for copy and deepcopy to work with CompositeRMSDForce (#13)

  Show description for c9500fb
  

  Charlles Abreu

  authored
  c9500fb

  Copy full SHA for c9500fb

Commits on Jan 29, 2024

• Transferred hosting to Redesign Science (#11)

  

  Charlles Abreu

  authored
  d1c7c45

  Copy full SHA for d1c7c45

• Includes doctest for CompositeRMSDForce (#10)

  Show description for 65a9b94
  

  Charlles Abreu

  authored
  65a9b94

  Copy full SHA for 65a9b94

Commits on Jan 28, 2024

• Changes class name to CompositeRMSDForce (#8)

  Show description for ba96779
  

  Charlles Abreu

  authored
  ba96779

  Copy full SHA for ba96779

Commits on Jan 27, 2024

• Included Python test

  

  Charlles Abreu

  committed
  8d20cee

  Copy full SHA for 8d20cee

• Fixed Python API

  

  Charlles Abreu

  committed
  3b3678c

  Copy full SHA for 3b3678c

Commits on Jan 26, 2024

• Removed py.typed file

  

  Charlles Abreu

  committed
  128b209

  Copy full SHA for 128b209

• Fixed python wrapping procedure

  

  Charlles Abreu

  committed
  456937f

  Copy full SHA for 456937f

• Changes plugin name (#5)

  Show description for fb8e284
  

  Charlles Abreu

  authored
  fb8e284

  Copy full SHA for fb8e284

• Creates recipe for building conda package (#4)

  Show description for b9c32cf
  

  Charlles Abreu

  authored
  b9c32cf

  Copy full SHA for b9c32cf

Commits on Jan 24, 2024

• Implements concerted rmsd calculation (#3)

  Show description for ed4ec69
  

  Charlles Abreu

  authored
  ed4ec69

  Copy full SHA for ed4ec69

• Renamed source folder

  

  Charlles Abreu

  committed
  70379c6

  Copy full SHA for 70379c6

• Updates GH Actions Workflows (#2)

  Show description for 3fdcda8
  

  Charlles Abreu

  authored
  3fdcda8

  Copy full SHA for 3fdcda8

• Deleted every force but ConcertedRMSDForce

  

  Charlles Abreu

  committed
  751210d

  Copy full SHA for 751210d

• Renamed files with new plugin name

  

  Charlles Abreu

  committed
  c711103

  Copy full SHA for c711103

• Updated contents with new plugin name

  

  Charlles Abreu

  committed
  16b091c

  Copy full SHA for 16b091c

• Concerted rmsd force (#1)

  Show description for aa71738
  

  Charlles Abreu

  authored
  aa71738

  Copy full SHA for aa71738

Commits on Jan 14, 2024

• Uses OpenMM 8.1 as the basis for implementing ExtendedCustomCVForce (#7)

  Show description for 362730d
  craabreu

  authored
  362730d

  Copy full SHA for 362730d

Commits on Jan 11, 2024

• Changes CustomSummation behavior when adding terms and updating parameters (#6)

  Show description for b300385
  craabreu

  authored
  b300385

  Copy full SHA for b300385

Commits on Dec 22, 2023

• Adds the CustomSummation class to the Python API (#5)

  Show description for c08e9b4
  craabreu

  authored
  c08e9b4

  Copy full SHA for c08e9b4

Commits on Dec 18, 2023

• Includes Python wrapper for ExtendedCustomCVForce (#2)

  Show description for 40b20e0
  craabreu

  authored
  40b20e0

  Copy full SHA for 40b20e0

• Removed assertion that depends on FFT package

  

  Charlles Abreu

  committed
  f6ffa0a

  Copy full SHA for f6ffa0a

Commits on Dec 12, 2023

• Changed plugin name throughout

  

  Charlles Abreu

  committed
  e76a940

  Copy full SHA for e76a940

• Renamed files

  

  Charlles Abreu

  committed
  d4ca227

  Copy full SHA for d4ca227

• Initial commit

  

  Charlles Abreu

  committed
  60c0f42

  Copy full SHA for 60c0f42

Loading