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Commits on Aug 30, 2022

• Support breaking changes from pydantic>=v1.9 (mosdef-hub#691)

  Show description for 0c1faaa
  umesh-timalsina

  authored
  0c1faaa

Commits on Jul 28, 2022

• Support list of parameter values in Forcefield XML (mosdef-hub#681)

  Show description for cc23eb8
  

  umesh-timalsina

  and

  daico007

  authored
  cc23eb8

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 15, 2022

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

  umesh-timalsina

  committed
  d0efd62

Commits on Jun 9, 2022

• Expanded search for impropertypes (mosdef-hub#665)

  umesh-timalsina

  authored
  4436e35

Commits on Jun 7, 2022

• Assign proper units when converting from pmd (mosdef-hub#662)

  umesh-timalsina

  authored
  02bdcd3

• Add expected parameters dimensions to PotentialTemplates (mosdef-hub#657)

  Show description for 99e7d2c
  

  umesh-timalsina

  and

  daico007

  authored
  99e7d2c

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 25, 2022

• Support unyt_array in __eq__/clone for PotentialExpression (mosdef-hub#660)

  Show description for a6255a4
  umesh-timalsina

  authored
  a6255a4

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

Commits on May 10, 2022

• Assign None to charge if not found in mol2 file (mosdef-hub#653)

  umesh-timalsina

  authored
  3a387c7

Commits on May 6, 2022

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

  umesh-timalsina

  committed
  2605c65

Commits on Apr 29, 2022

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

  umesh-timalsina

  committed
  f9c40ea

• Infer elements when converting from parmed. Close mosdef-hub#650 (mosdef-hub#651)

  Show description for 39e1af4
  umesh-timalsina

  authored
  39e1af4

Commits on Apr 28, 2022

• Skip docker build

  umesh-timalsina

  committed
  e9f72a3

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

  umesh-timalsina

  committed
  8d82681

• Run CI on develop push as well

  umesh-timalsina

  committed
  1cb24ac

• Feature: Add non_element_types support for atomtyping (mosdef-hub#648)

  Show description for 1818e46
  umesh-timalsina

  authored
  1818e46

• Add workflow PR trigger for develop branch

  umesh-timalsina

  committed
  43e71f3

Commits on Apr 26, 2022

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

  umesh-timalsina

  committed
  cd68411

• Update workflow to reflect default branch name (mosdef-hub#647)

  umesh-timalsina

  authored
  c78e242

Commits on Apr 19, 2022

• Merge branch master

  umesh-timalsina

  committed
  f9e7332

• Use github actions for CI (mosdef-hub#646)

  Show description for bfc9c40
  umesh-timalsina

  authored
  bfc9c40

Commits on Apr 12, 2022

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

  umesh-timalsina

  committed
  efeaad2

• Add cloning support to Potentials (mosdef-hub#642)

  Show description for a10c7c1
  umesh-timalsina

  authored
  a10c7c1

Commits on Apr 4, 2022

• WIP-Draft removed hasing based inefficencies

  umesh-timalsina

  committed
  40dfae0

• WIP-Remove hashing from all classes

  umesh-timalsina

  committed
  c7de431

Commits on Feb 22, 2022

• Prevent accidental defaults while creating Potentials (mosdef-hub#635)

  Show description for 2e376d4
  

  umesh-timalsina

  and

  daico007

  authored
  2e376d4

Commits on Feb 7, 2022

• Drop python 3.6 (mosdef-hub#633)

  Show description for d592215
  

  umesh-timalsina

  and

  justinGilmer

  authored
  d592215

Commits on Feb 2, 2022

• Add combining rule to forcefield (mosdef-hub#632)

  umesh-timalsina

  authored
  b077e66

Commits on Nov 3, 2021

• Use proper code-blocks section in installation.rst (mosdef-hub#606)

  umesh-timalsina

  authored
  399667a

Commits on Oct 21, 2021

• Properly populate tags in kwargs for Potentials (mosdef-hub#601)

  Show description for 87440b4
  

  3 peopleauthored
  87440b4

Commits on Oct 20, 2021

• Change warnings to conditional warnings during element search (mosdef-hub#599)

  Show description for 7acc05e
  

  4 peopleauthored
  7acc05e

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