Set version 3.14.0

This commit is contained in:
Atsushi Togo 2025-02-07 18:39:22 +09:00
parent 948faad549
commit 482aec7bd8
5 changed files with 9 additions and 5 deletions

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@ -2,6 +2,10 @@
# Change Log
## Feb-7-2025: Version 3.14.0
- Release to follow the change of phonopy
## Feb-5-2025: Version 3.13.0
- Release to follow the change of phonopy

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@ -58,9 +58,9 @@ copyright = "2015, Atsushi Togo"
# built documents.
#
# The short X.Y version.
version = "3.13"
version = "3.14"
# The full version, including alpha/beta/rc tags.
release = "3.13.0"
release = "3.14.0"
# The language for content autogenerated by Sphinx. Refer to documentation
# for a list of supported languages.

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@ -188,7 +188,7 @@ def estimate_symfc_memory_usage(
"""
symfc_solver = SymfcFCSolver(supercell, symmetry, options={"cutoff": {3: cutoff}})
basis_size = symfc_solver._symfc.estimate_basis_size(orders=[3])[3]
basis_size = symfc_solver.estimate_basis_size(orders=[3])[3]
memsize = basis_size**2 * 3 * 8 / 10**9
memsize2 = len(supercell) * 3 * batch_size * basis_size * 8 / 10**9
return memsize, memsize2

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@ -34,4 +34,4 @@
# ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
# POSSIBILITY OF SUCH DAMAGE.
__version__ = "3.13.0"
__version__ = "3.14.0"

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@ -16,7 +16,7 @@ dependencies = [
"matplotlib",
"h5py",
"spglib",
"phonopy>=2.36,<2.37",
"phonopy>=2.37,<2.38",
]
license = { file = "LICENSE" }