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Update version number to 0.0.4 main modules
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rashatwi committed Jul 8, 2023
1 parent 205cbbc commit b13ea49
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Showing 9 changed files with 9 additions and 9 deletions.
2 changes: 1 addition & 1 deletion mdproptools/common/constants.py
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__email__ = "[email protected]"
__status__ = "Development"
__date__ = "Jun 2020"
__version__ = "0.0.3"
__version__ = "0.0.4"

BOLTZMANN = 1.380649 * 10 ** -23 # J/K

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2 changes: 1 addition & 1 deletion mdproptools/dynamical/conductivity.py
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__email__ = "[email protected]"
__status__ = "Development"
__date__ = "Sep 2021"
__version__ = "0.0.3"
__version__ = "0.0.4"


# TODO: Implement and test other methods for calculating conductivity (eg. Einstein
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2 changes: 1 addition & 1 deletion mdproptools/dynamical/diffusion.py
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__email__ = "[email protected]"
__status__ = "Development"
__date__ = "Sep 2021"
__version__ = "0.0.3"
__version__ = "0.0.4"


class Diffusion:
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2 changes: 1 addition & 1 deletion mdproptools/dynamical/residence_time.py
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__email__ = "[email protected]"
__status__ = "Development"
__date__ = "May 2022"
__version__ = "0.0.3"
__version__ = "0.0.4"


@nb.njit(cache=True)
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2 changes: 1 addition & 1 deletion mdproptools/dynamical/viscosity.py
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__email__ = "[email protected]"
__status__ = "Development"
__date__ = "Sep 2021"
__version__ = "0.0.3"
__version__ = "0.0.4"


TENSOR_LABELS = ["Pxy", "Pxz", "Pyz"]
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2 changes: 1 addition & 1 deletion mdproptools/structural/cluster_analysis.py
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__email__ = "[email protected]"
__status__ = "Development"
__date__ = "Apr 2020"
__version__ = "0.0.3"
__version__ = "0.0.4"

FORCE_CONSTANT = 0.043363 / 16.0

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2 changes: 1 addition & 1 deletion mdproptools/structural/number_density.py
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__email__ = "[email protected]"
__status__ = "Development"
__date__ = "May 2020"
__version__ = "0.0.3"
__version__ = "0.0.4"


def calc_number_density(
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2 changes: 1 addition & 1 deletion mdproptools/structural/rdf_cn.py
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__email__ = "[email protected]"
__status__ = "Development"
__date__ = "Dec 2019"
__version__ = "0.0.3"
__version__ = "0.0.4"

CON_CONSTANT = 1.660538921

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2 changes: 1 addition & 1 deletion setup.py
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setuptools.setup(
name="mdproptools",
version="0.0.3",
version="0.0.4",
author="Rasha Atwi, Matthew Bliss, Maxim Makeev",
author_email="[email protected], [email protected], "
"[email protected]",
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