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some fixes #19

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Merged
fractalsbyx merged 1 commit into from
Jul 1, 2025
Merged

some fixes #19

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2 changes: 2 additions & 0 deletions ammber/BinarySystems.py
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Expand Up @@ -413,6 +413,8 @@ def __init__(self, component="", solution_component="", phases=None):
phases : dict {string phase_name : BinaryIsothermal2ndOrderPhase phase}
(optional) composition to be sampled
"""
self.component = component
self.solution_component = solution_component
self.phases = {}
if phases is not None:
self.phases = phases
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2 changes: 1 addition & 1 deletion ammber/__init__.py
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Expand Up @@ -4,6 +4,6 @@
A Python package for parametrizing gibbs free energy curves for phase-field modeling.
"""

__version__ = "0.1.4"
__version__ = "0.1.6"
__author__ = 'W. Beck Andrews, Xander Mensah, Katsuyo Thornton'
__credits__ = 'University of Michigan'
5 changes: 3 additions & 2 deletions ammber/utils.py
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Expand Up @@ -31,7 +31,7 @@ def add_to_dict(binaryIsothermalSys, dict, add_templates=False, c0={}, Vm=None,
dict["phases"][phase_name][comp] = {}
dict["phases"][phase_name][comp]["k_well"] = phase.kwell
dict["phases"][phase_name][comp]["c_min"] = phase.cmin
dict["phases"][phase_name][comp]["f_min"] = phase.fmin
dict["phases"][phase_name]["f_min"] = phase.fmin

if add_templates:
c0_phase_keys = list(c0.keys())
Expand All @@ -47,4 +47,5 @@ def add_to_dict(binaryIsothermalSys, dict, add_templates=False, c0={}, Vm=None,
dict["Vm"] = Vm if Vm is not None else -1.0
if "order_parameters" not in dict:
dict["order_parameters"] = list(binaryIsothermalSys.phases.keys())

if "dimensions" not in dict:
dict["dimensions"] = { "length_scale": 0.0, "time_scale": 0.0, "energy_density_scale": 0.0 }
2 changes: 1 addition & 1 deletion pyproject.toml
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Expand Up @@ -29,7 +29,7 @@ build-backend = "setuptools.build_meta"

[project]
name = "ammber"
version = "0.1.4"
version = "0.1.6"
description = "A Python package for parametrizing Gibbs free energy curves for phase-field modeling"
authors = [
{ name = "W. Beck Andrews", email = "wband@umich.edu" },
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