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Commits on Jun 18, 2024

• Write out rigid water for GROMACS top file (mosdef-hub#771)

  Show description for 444d9e1
  

  3 peopleauthored
  444d9e1

Commits on May 6, 2024

• Add Ruff to pre-commit (mosdef-hub#819)

  Show description for 069170b
  

  4 peopleauthored
  069170b

Commits on Mar 17, 2024

• Add tests and change behavior when applying types, update connection.connection_members from types (mosdef-hub#808)

  CalCraven

  authored
  d3fca73

Commits on Jan 30, 2024

• [pre-commit.ci] pre-commit autoupdate (mosdef-hub#800)

  Show description for 250bc3c
  

  pre-commit-ci[bot]

  and

  daico007

  authored
  250bc3c

• Lammps charmm dihedrals (mosdef-hub#787)

  Show description for 7c97931
  

  3 peopleauthored
  7c97931

Commits on Jan 16, 2024

• Write charge in elementary charge unit (XML writer) (mosdef-hub#794)

  Show description for 6c7fbcd
  

  3 peopleauthored
  6c7fbcd

Commits on Jan 15, 2024

• Fix bug in GRO reader (mosdef-hub#775)

  Show description for c99799a
  daico007

  authored
  c99799a

Commits on Dec 20, 2023

• Bugfix to handle default registry for json handling and load member_classes from lammpsdata file (mosdef-hub#793)

  CalCraven

  authored
  51d8905

Commits on Dec 13, 2023

• Update GMSO to work with pydantic 2.0 (mosdef-hub#745)

  Show description for 096da71
  

  daico007

  and

  pre-commit-ci[bot]

  authored
  096da71

Commits on Nov 28, 2023

• Add position restraints for Site (mosdef-hub#770)

  Show description for b20472c
  daico007

  authored
  b20472c

Commits on Sep 22, 2023

• Cassandra gmso (mosdef-hub#756)

  Show description for 7537899
  

  6 peopleauthored
  7537899

• Fix HOOMD issues with GAFF ForceField (mosdef-hub#765)

  Show description for ff94811
  

  3 peopleauthored
  ff94811

Commits on Sep 7, 2023

• Add shift_coord for gro writer (mosdef-hub#730)

  Show description for 0011e15
  

  3 peopleauthored
  0011e15

Commits on Aug 11, 2023

• Test unit handling in GMSO for standard unit conversion utilities (mosdef-hub#747)

  Show description for 0b9e0c5
  

  CalCraven

  and

  daico007

  authored
  0b9e0c5

Commits on Jul 7, 2023

• Lammps Writer Changes For Updated Topology Class (mosdef-hub#701)

  Show description for 689321b
  

  3 peopleauthored
  689321b

Commits on Jun 27, 2023

• Support GSD 3 (mosdef-hub#739)

  Show description for 4bac8e5
  

  chrisjonesBSU

  and

  CalCraven

  authored
  4bac8e5

Commits on Jun 2, 2023

• Add verbose options for mol2 and element (mosdef-hub#729)

  Show description for 8cb3e59
  daico007

  authored
  8cb3e59

Commits on May 17, 2023

• Move generate_pairs_lists (mosdef-hub#722)

  Show description for 78b0d85
  daico007

  authored
  78b0d85

Commits on Apr 28, 2023

• Additional checks when generate pair lists (mosdef-hub#720)

  Show description for 1be233c
  daico007

  authored
  1be233c

Commits on Apr 24, 2023

• Add HOOMD Supports (mosdef-hub#696)

  Show description for 35aa77f
  

  4 peopleauthored
  35aa77f

• writing out pairs section of top file (mosdef-hub#714)

  Show description for c735cc3
  daico007

  authored
  c735cc3

Commits on Mar 9, 2023

• Gromacs .gro writer (mosdef-hub#710)

  Show description for a7c9f5d
  

  4 peopleauthored
  a7c9f5d

Commits on Feb 7, 2023

• [pre-commit.ci] pre-commit autoupdate (mosdef-hub#713)

  Show description for 089db6f
  pre-commit-ci[bot]

  authored
  089db6f

Commits on Jan 4, 2023

• [pre-commit.ci] pre-commit autoupdate (mosdef-hub#705)

  Show description for 46f3860
  

  pre-commit-ci[bot]

  and

  daico007

  authored
  46f3860

Commits on Dec 13, 2022

• Speed up check_compatibility for relevant writer method (mosdef-hub#700)

  Show description for 5085640
  daico007

  authored
  5085640

Commits on Dec 7, 2022

• Add CodeQL workflow for GitHub code scanning (mosdef-hub#699)

  Show description for fe321e2
  

  3 peopleauthored
  fe321e2

Commits on Nov 9, 2022

• Restraint support for GROMACS top writer (mosdef-hub#685)

  Show description for 4f00c99
  daico007

  authored
  4f00c99

Commits on Aug 3, 2022

• Fix mass and charge in GSD writer; Add angles and dihedrals to GSD writer (mosdef-hub#680)

  Show description for dfda87f
  

  3 peopleauthored
  dfda87f

Commits on Jul 25, 2022

• Mol2 residue and molecule info for sites. (mosdef-hub#671)

  Show description for c336588
  

  3 peopleauthored
  c336588

Commits on Jul 11, 2022

• modify mbuild converter to flatten compound hierarchy (mosdef-hub#638)

  Show description for d95fd5b
  

  3 peopleauthored
  d95fd5b

Commits on Jun 28, 2022

• Modify scaling factors to a numpy array (mosdef-hub#669)

  Show description for 7f462fb
  

  4 peopleauthored
  7f462fb

Commits on Jun 1, 2022

• Expanded search for elements when reading mol2 (mosdef-hub#661)

  Show description for 04f2845
  umesh-timalsina

  authored
  04f2845

Commits on May 11, 2022

• Merge remote-tracking branch 'upstream/develop' into develop

  umesh-timalsina

  committed
  1b8eda1

• Merge remote-tracking branch 'upstream/main' into develop

  umesh-timalsina

  committed
  ff91f8f

• Add view classes for handling potentials in a topology (mosdef-hub#649)

  umesh-timalsina

  authored
  f81b2a9

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