1.0.0 release

Issues

• Make it clear on how to setup the simulation

  training
  CCPBioSim/CodeEntropy#5 · by Filter by author DonaldChung-HK was closed on Aug 22, 2025 · 1.0.0 release

• Amber inputs

  documentation
  CCPBioSim/CodeEntropy#8 · by Filter by author skfegan was closed on Apr 7, 2025 · 1.0.0 release
  1

• Nan Error Handling

  bug
  CCPBioSim/CodeEntropy#7 · by Filter by author skfegan was closed on Mar 10, 2025 · 1.0.0 release
  1

  

• Force halving

  bug
  CCPBioSim/CodeEntropy#22 · by Filter by author skfegan was closed on Feb 19, 2025 · 1.0.0 release
  2

• united atom dihedrals

  CCPBioSim/CodeEntropy#23 · by Filter by author skfegan was closed on Mar 12, 2025 · 1.0.0 release
  1

• Add Splash Screen & Metadata

  CCPBioSim/CodeEntropy#38 · by Filter by author harryswift01 was closed on Aug 22, 2025 · 1.0.0 release
  1

  

• Refactor Executable & Main Script

  CCPBioSim/CodeEntropy#37 · by Filter by author harryswift01 was closed on Mar 6, 2025 · 1.0.0 release
  

• Support JSON & txt Output Formats

  CCPBioSim/CodeEntropy#33 · by Filter by author harryswift01 was closed on Mar 25, 2025 · 1.0.0 release
  

• Migrate from setuptools to flit (PEP 621)

  CCPBioSim/CodeEntropy#36 · by Filter by author harryswift01 was closed on Mar 6, 2025 · 1.0.0 release
  

• Merge Latest Updates from dev Branch into main

  CCPBioSim/CodeEntropy#42 · by Filter by author harryswift01 was closed on Mar 4, 2025 · 1.0.0 release
  1

  

• Improve Test Coverage & Organization

  CCPBioSim/CodeEntropy#40 · by Filter by author harryswift01 was closed on Jun 23, 2025 · 1.0.0 release
  

• Implement CI Pipeline & Pre-commit Hooks

  CCPBioSim/CodeEntropy#39 · by Filter by author harryswift01 was closed on Mar 7, 2025 · 1.0.0 release
  

• Consistent Naming of numpy Across the Codebase

  CCPBioSim/CodeEntropy#41 · by Filter by author harryswift01 was closed on Mar 7, 2025 · 1.0.0 release
  

• Implement Python Logging System

  CCPBioSim/CodeEntropy#34 · by Filter by author harryswift01 was closed on Mar 25, 2025 · 1.0.0 release
  

• Implement Dual Input Interface (CLI Args & YAML)

  CCPBioSim/CodeEntropy#32 · by Filter by author harryswift01 was closed on Mar 17, 2025 · 1.0.0 release
  1

  

• Version 1.0 Documentation

  documentation
  CCPBioSim/CodeEntropy#43 · by Filter by author skfegan was closed on Aug 22, 2025 · 1.0.0 release
  3

  

• Remove endian sensitive math

  CCPBioSim/CodeEntropy#46 · by Filter by author harryswift01 was closed on Mar 21, 2025 · 1.0.0 release
  

• End method comments

  CCPBioSim/CodeEntropy#49 · by Filter by author harryswift01 was closed on Mar 20, 2025 · 1.0.0 release
  

• Strange file name in tests

  CCPBioSim/CodeEntropy#47 · by Filter by author harryswift01 was closed on Mar 12, 2025 · 1.0.0 release
  1

  

• Update entry points into pyproject.toml

  bug
  CCPBioSim/CodeEntropy#56 · by Filter by author harryswift01 was closed on Mar 12, 2025 · 1.0.0 release
  

• Examples

  documentationtraining
  CCPBioSim/CodeEntropy#60 · by Filter by author skfegan was closed on Aug 22, 2025 · 1.0.0 release
  

• Cannot Compute Weighted Torque

  CCPBioSim/CodeEntropy#55 · by Filter by author harryswift01 was closed on Mar 13, 2025 · 1.0.0 release
  6

  

• YAML input not accepting top_traj_file input

  bug
  CCPBioSim/CodeEntropy#74 · by Filter by author harryswift01 was closed on Mar 25, 2025 · 1.0.0 release
  

• Posiedon Code Removal

  CCPBioSim/CodeEntropy#58 · by Filter by author harryswift01 was closed on Mar 12, 2025 · 1.0.0 release
  

• Introduce Dependabot to auto update dependencies

  Feature

  CCPBioSim/CodeEntropy#98 · by Filter by author harryswift01 was closed on May 16, 2025 · 1.0.0 release