Added:

• Add generator parallelism.
• Add soft bounds.
• add a tool to download cif file from database.
• support load PDF model from pyobjcryst code.
• support molecule PDF refinement.
• Added support for nanoparticle pdf refinement.
• Add more flexible interface to utilize diffpy.srfit.

Fixed:

• Update the skill name and allow multiple skills.

What's Changed

• chore: downgrade python version by @ycexiao in #50

Full Changelog: 0.2.0-rc.3...0.2.0-rc.4

What's Changed

• docs: update the documentation for using Diffpy MCP by @ycexiao in #47
• docs: add "when the agent fails" section by @ycexiao in #49
• refactor: adjust the internal interface and workflow for better agent performance by @ycexiao in #48

Full Changelog: 0.2.0-rc.2...0.2.0-rc.3

What's Changed

• chore: update python version requirements by @ycexiao in #44

Full Changelog: 0.2.0-rc.1...0.2.0-rc.2

What's Changed

• fix: update the skill name and allow for multiple skills by @ycexiao in #41
• chore: skpkg update by @ycexiao in #43
• docs: add documentation for connecting the MCP server to chatgpt by @ycexiao in #42

Full Changelog: 0.2.0-rc.0...0.2.0-rc.1

What's Changed

• chore: remove on: push: branches: main in the workflow by @ycexiao in #29
• refactor: use a more flexible interface to utilize diffpy.srfit by @ycexiao in #31
• feat: support multiple-contribution refinement by @ycexiao in #32
• feat: support nanoparticle pdf refinement by @ycexiao in #33
• feat: support molecule PDF refinement by @ycexiao in #34
• feat: add some small capabilities by @ycexiao in #36
• feat: evaluate model with placeholder profile by @ycexiao in #37
• docs: add documentation for Diffpy MCP server by @ycexiao in #38
• chore: small patches before release by @ycexiao in #40

Full Changelog: 0.1.1...0.2.0-rc.0

Added:

• Ensure git is installed and internet connection for agentify.

What's Changed

• CI: allow to release doc on workflow dispatch by @ycexiao in #27
• fix: tests failed when git is not installed by @ycexiao in #28

Full Changelog: 0.1.0...0.1.1-rc.0

Added:

• Also add diffpy.apps as an entry point.
• Add runmacro in the README.
• Support single line comment in the macro file.
• Add "agentify" app to deploy diffpy.cmi agent skills.
• Add diffpy.app runmacro <file> command.
• Add DSL support.

Changed:

• Use python=3.13 as default before python=3.14 is supported by diffpy.cmi.

What's Changed

• fix: set python>=3.11,<3.14 by @ycexiao in #24

Full Changelog: 0.1.0-rc.2...0.1.0-rc.3