From e032afad7244a4282c26b01254cd2638757860de Mon Sep 17 00:00:00 2001 From: Caden Myers Date: Mon, 30 Jun 2025 15:53:11 -0400 Subject: [PATCH 1/2] chore: add long description to readme --- README.rst | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/README.rst b/README.rst index 132ab6c..f3d06ca 100644 --- a/README.rst +++ b/README.rst @@ -37,7 +37,9 @@ Complex modeling infrastructure: a modulare framework for multi-modal modeling of scientific data. -* LONGER DESCRIPTION HERE +The software provides functionality for storage and manipulation of structure data and calculation of structure-based quantities, such as PDF, SAS, bond valence sums, atom overlaps, bond lengths, and coordinations. Most importantly the DiffPy-CMI package contains a fitting framework for combining multiple experimental inputs in a single optimization problem. + +This is an early release of code that is under intense development, with support for installation on Unix, Linux, and Macintosh machines. The scope and documentation of the project will evolve rapidly, but we want to make the code available at the earliest possible date. Please make use of the software and provide feedback and suggestions for improvement, but please be patient and check back frequently for updates. For more information about the diffpy.cmi library, please consult our `online documentation `_. From c1ad2c2cc1d22e2b5ca0624a10aea020504c8209 Mon Sep 17 00:00:00 2001 From: Caden Myers Date: Mon, 30 Jun 2025 15:53:58 -0400 Subject: [PATCH 2/2] chore: news --- news/readme-info.rst | 23 +++++++++++++++++++++++ 1 file changed, 23 insertions(+) create mode 100644 news/readme-info.rst diff --git a/news/readme-info.rst b/news/readme-info.rst new file mode 100644 index 0000000..d74e20d --- /dev/null +++ b/news/readme-info.rst @@ -0,0 +1,23 @@ +**Added:** + +* Add long description to README. + +**Changed:** + +* + +**Deprecated:** + +* + +**Removed:** + +* + +**Fixed:** + +* + +**Security:** + +*