Code

Fix merge conflict#56

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Merged

RKLindsey merged 17 commits intork-lindsey:developrk-lindsey/chimes_calculator:developfrom LindseyLab-umich:fix-merge-conflictLindseyLab-umich/chimes_calculator-LLfork:fix-merge-conflictCopy head branch name to clipboardMar 19, 2024

+4,568-74

Commits

Commits on Jan 7, 2023

• Add support for excluded interactions

  RKLindsey

  committed
  6b18615

Commits on Jul 20, 2023

• Merge branch 'develop' of github.com:LindseyLab-umich/chimes_calculator-LLfork into develop

  RKLindsey

  committed
  3dcbcdf

• Bugfix: Modify chimesFF to allow penalty ouput from any proc. Feature: Add support for generating traj_bad files needed for the ALD via LAMMPS or other tools calling the ChIMES Calculator.

  RKLindsey

  committed
  6a2ef5b

• Merge pull request #14 from LindseyLab-umich/develop

  Show description for 3fc3d9b
  RKLindsey

  authored
  3fc3d9b

Commits on Jul 25, 2023

• Create CODEOWNERS

  Show description for 181232f
  RKLindsey

  authored
  181232f

Commits on Aug 3, 2023

• Fix issue rk-lindsey#53

  Show description for b5879c9
  RKLindsey

  committed
  b5879c9

• Update Makefile

  Show description for 43ad532
  rk-lindsey

  authored
  43ad532

Commits on Sep 15, 2023

• Fix bug in API c-interface for python and fortran direct interface example

  RKLindsey

  committed
  182f72f

• Merge branch 'main' of github.com:RKLindsey/chimes_calculator-myLLfork

  RKLindsey

  committed
  50fbb88

• Fix compiler flag in direct interface example Makefile

  RKLindsey

  committed
  23e0428

• Merge pull request #15 from RKLindsey/main

  Show description for 6a7ecc4
  RKLindsey

  authored
  6a7ecc4

Commits on Dec 14, 2023

• Merge pull request rk-lindsey#54 from rk-lindsey/fix_expert_mode_examples

  Show description for 3057ae3
  nirgoldman

  authored
  3057ae3

Commits on Dec 19, 2023

• Fix segfault issue when running 3B scans.

  RKLindsey

  committed
  c308100

Commits on Mar 14, 2024

• Add new transferable ChIMES Carbon model to the forcefields database

  

  Becky Lindsey

  committed
  b6bd115

• Merge pull request #19 from RKLindsey/main

  Show description for 70a13e6
  rk-lindsey

  authored
  70a13e6

• Update CODEOWNERS

  Show description for 35e897c
  RKLindsey

  authored
  35e897c

• Merge branch 'main' into fix-merge-conflict

  RKLindsey

  authored
  b923a9a