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Fix bug solid #177

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Merged
srmnitc merged 2 commits into from
Jul 16, 2025
Merged

Fix bug solid #177

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d8c8197
fix keyword
srmnitc Jul 16, 2025
928582b
Bump version: 1.4.2 → 1.4.3
srmnitc Jul 16, 2025
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2 changes: 1 addition & 1 deletion .bumpversion.cfg
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Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
[bumpversion]
current_version = 1.4.2
current_version = 1.4.3
commit = True
tag = True

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2 changes: 1 addition & 1 deletion calphy/__init__.py
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Expand Up @@ -4,7 +4,7 @@
from calphy.alchemy import Alchemy
from calphy.routines import MeltingTemp

__version__ = "1.4.2"
__version__ = "1.4.3"

def addtest(a,b):
return a+b
2 changes: 1 addition & 1 deletion calphy/input.py
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Expand Up @@ -48,7 +48,7 @@
from ase.io import read, write
import shutil

__version__ = "1.4.2"
__version__ = "1.4.3"


def _check_equal(val):
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2 changes: 1 addition & 1 deletion calphy/solid.py
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Expand Up @@ -299,7 +299,7 @@ def run_minimal_averaging(self):
lmp.command(f'pair_style {self.calc._pair_style_with_options[0]}')

#set up structure
lmp = ph.create_structure(lmp, self.calc, species=self.calc.n_elements+self.calc._ghost_element_count)
lmp = ph.create_structure(lmp, self.calc)

if self.calc.potential_file is None:
lmp.command(f'pair_coeff {self.calc.pair_coeff[0]}')
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2 changes: 1 addition & 1 deletion setup.py
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Expand Up @@ -53,7 +53,7 @@
packages=find_packages(include=['calphy', 'calphy.*']),
test_suite='tests',
url='https://github.com/ICAMS/calphy',
version='1.4.2',
version='1.4.3',
zip_safe=False,
entry_points={
'console_scripts': [
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