CHANGELOG.md

Dev

• Improve custom data architecture:
  • Declare and add MDDriver_sendCustomInt/Float in UnityMol-MDDriver API
  • Add IMDCustomData structure for custom data
  • Show 'no force' warning only for IMDmsg log level > 0
  • In IIMD_treatprotocol, activate vmd_new_custom_float flag when recieve custom data in server side & fix vmd_custom_int allocation
  • Adapt IIMD_send_custom_int/float to send custom data from client side to server
  • Update clienttest.c & servertest.c for custom data

1.0

• Create README for python library
• Add Github Actions for building the library with the 3 OS (Linux, Mac, Windows)
• Use Modern CMake to handle compilation & installation
• Modify various files to fit the modern cmake usage
• Move adapters/interaction/tools into example_tool/
• Move adapters/UnityMol into plugins/UnityMol
• Build by default the UnityMol plugin
• Do not install by default the example tool
• Fix compilations errors in the sources files of example_tool
• Move test executable into a specific folder
• Remove unused data files and GROMACS patches

0.9

- Status of this repo before massive re-organization