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version 2.0a5
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bpuchala committed Oct 25, 2023
1 parent a7a54a0 commit 4bdaf8c
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18 changes: 18 additions & 0 deletions CHANGELOG.md
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Expand Up @@ -5,6 +5,24 @@ All notable changes to `libcasm-xtal` will be documented in this file.
The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.1.0/),
and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).


## [2.0a5] - 2023-10-25

### Added

- Added SymOp.matrix_rep to get matrix representations for transforming CASM-supported properties in the standard basis

### Changed

- Do not allow automatic conversion from floating point arrays to integer Eigen objects.
- Added a parameter, `mode`, to Structure.from_poscar and Structure.from_poscar_str to specify whether the POSCAR should be read as atoms, molecules, or both. The default was set to "atoms". Previous behavior was equivalent to using "both".

### Fixed

- Fixed the xtal::Site::dof error message thrown when the requested DoF type does not exist on the site
- Updated documentation for the `local_dofs` parameters in libcasm.xtal.prims


## [2.0a4] - 2023-09-29

### Fixed
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2 changes: 1 addition & 1 deletion pyproject.toml
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Expand Up @@ -12,7 +12,7 @@ build-backend = "setuptools.build_meta"

[project]
name = "libcasm-xtal"
version = "2.0a4"
version = "2.0a5"
authors = [
{ name="CASM developers", email="[email protected]" },
]
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2 changes: 1 addition & 1 deletion python/doc/conf.py
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Expand Up @@ -96,7 +96,7 @@
# The short X.Y version.
version = "2.0"
# The full version, including alpha/beta/rc tags.
release = "2.0a4"
release = "2.0a5"

# The language for content autogenerated by Sphinx. Refer to documentation
# for a list of supported languages.
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2 changes: 1 addition & 1 deletion python/setup.py
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@@ -1,6 +1,6 @@
import os

__version__ = "2.0a4"
__version__ = "2.0a5"

# Available at setup time due to pyproject.toml
from pybind11.setup_helpers import Pybind11Extension, build_ext
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2 changes: 1 addition & 1 deletion setup.py
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Expand Up @@ -2,7 +2,7 @@

setup(
name="libcasm-xtal",
version="2.0a4",
version="2.0a5",
packages=["libcasm", "libcasm.xtal"],
package_dir={"": "python"},
cmake_install_dir="python/libcasm",
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