Commits

Breadcrumbs

History for

on0f1d781

User selector

All users

Datepicker

All time

Commit History

Commits on Jun 19, 2024

• Implementation of eRMSD (AA), eRMSD (CG) and RMSD (Kabsch) [all unweighted] (#321)

  Show description for a3b3098
  

  3 peopleauthored
  a3b3098

  Copy full SHA for a3b3098

Commits on Jan 24, 2023

• Update GitHub Actions (#246)

  Show description for fb5e397
  pabloferz

  authored
  fb5e397

  Copy full SHA for fb5e397

Commits on Nov 16, 2022

• Phase angle (#227)

  Show description for 37f6b33
  

  3 peopleauthored
  37f6b33

  Copy full SHA for 37f6b33

Commits on Oct 11, 2022

• Update README to display logo (#223)

  Show description for eb28c3f
  pabloferz

  authored
  eb28c3f

  Copy full SHA for eb28c3f

Commits on Oct 10, 2022

• Nacl example update (#221)

  gustavor101

  authored
  0833d2b

  Copy full SHA for 0833d2b

Commits on Sep 19, 2022

• fix typo

  InnocentBug

  committed
  230a688

  Copy full SHA for 230a688

• adjust forward flux sampling to run inside the docker container (like the other ones)

  InnocentBug

  committed
  837fed0

  Copy full SHA for 837fed0

• add basic things for merge-q

  InnocentBug

  committed
  db6bdba

  Copy full SHA for db6bdba

Commits on Sep 15, 2022

• Trunk (#210)

  Show description for 2e50d45
  

  InnocentBug

  and

  pabloferz

  authored
  2e50d45

  Copy full SHA for 2e50d45

Commits on Sep 14, 2022

• Add String Method

  

  InnocentBug

  authored and

  pabloferz

  committed
  7e742f7

  Copy full SHA for 7e742f7

Commits on Aug 22, 2022

• Add CI test for multid-cv

  

  sivadasetty

  authored and

  pabloferz

  committed
  5a5f200

  Copy full SHA for 5a5f200

Commits on Jul 21, 2022

• Tweak SpectralABF CI example (#167)

  pabloferz

  authored
  d924395

  Copy full SHA for d924395

Commits on Jul 20, 2022

• Add CI test for CFF

  pabloferz

  committed
  84ab341

  Copy full SHA for 84ab341

• Add new SpectralABF method (#159)

  pabloferz

  authored
  a31046a

  Copy full SHA for a31046a

Commits on Jul 19, 2022

• Add CI test for SpectralABF

  pabloferz

  committed
  5459712

  Copy full SHA for 5459712

• more name changes

  InnocentBug

  committed
  361cdd7

  Copy full SHA for 361cdd7

• add CI test

  InnocentBug

  committed
  f721c25

  Copy full SHA for f721c25

Commits on Jul 17, 2022

• Tweak the HOOMD-MPI CI test

  pabloferz

  committed
  315609d

  Copy full SHA for 315609d

Commits on Jul 15, 2022

• Add restraints example

  pabloferz

  committed
  a36cd29

  Copy full SHA for a36cd29

• Tweak docker-ci workflow

  pabloferz

  committed
  74501fe

  Copy full SHA for 74501fe

Commits on Jul 13, 2022

• Add test for ASE

  pabloferz

  committed
  ce0bcf3

  Copy full SHA for ce0bcf3

Commits on Jul 10, 2022

• Add MPI test to CI

  

  InnocentBug

  authored and

  pabloferz

  committed
  505fb1c

  Copy full SHA for 505fb1c

Commits on Jul 6, 2022

• Fix empty grid construction in Metadynamics (#152)

  Show description for 599811f
  

  pabloferz

  and

  InnocentBug

  authored
  599811f

  Copy full SHA for 599811f

Commits on May 17, 2022

• Use composition instead of inheritance for UmbrellaIntegration

  pabloferz

  committed
  6c2d7cf

  Copy full SHA for 6c2d7cf

Commits on May 3, 2022

• Use metad instead of meta everywhere

  pabloferz

  committed
  b3acd60

  Copy full SHA for b3acd60

• Update examples to match latest changes

  Show description for a2cf0a7
  pabloferz

  committed
  a2cf0a7

  Copy full SHA for a2cf0a7

Commits on Apr 29, 2022

• limit retention of artifacts to save money (#126)

  InnocentBug

  authored
  913c0fb

  Copy full SHA for 913c0fb

Commits on Apr 7, 2022

• Change FFS example to ADP in vacuum

  

  gustavor101

  authored and

  pabloferz

  committed
  6671d89

  Copy full SHA for 6671d89

Commits on Apr 6, 2022

• Move FFS to OpenMM example directory

  

  InnocentBug

  authored and

  pabloferz

  committed
  90ce0b6

  Copy full SHA for 90ce0b6

Commits on Feb 22, 2022

• Google Colab integration (#102)

  Show description for 3eefa70
  

  4 peopleauthored
  3eefa70

  Copy full SHA for 3eefa70

Commits on Dec 2, 2021

• Implement umbrella integration (#68)

  Show description for 63f8e88
  

  InnocentBug

  and

  pabloferz

  authored
  63f8e88

  Copy full SHA for 63f8e88

Commits on Oct 13, 2021

• Make sampling methods take control over running simulations (#64)

  Show description for 99c507d
  

  InnocentBug

  and

  pabloferz

  authored
  99c507d

  Copy full SHA for 99c507d

Commits on Oct 12, 2021

• Rename umbrella sampling (#67)

  InnocentBug

  authored
  ff47d7e

  Copy full SHA for ff47d7e

Commits on Oct 11, 2021

• Add CI with docker container (#63)

  InnocentBug

  authored
  0ba185c

  Copy full SHA for 0ba185c

Loading