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Give installation warning when no library potential found #1218

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Give installation warning when no library potential found #1218

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30eaaa3
fix typo
samwaseda Nov 23, 2023
53f5ed6
issue warning when there is no potential available
samwaseda Nov 23, 2023
5555757
change location of warning
samwaseda Nov 23, 2023
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4 changes: 2 additions & 2 deletions pyiron_atomistics/lammps/base.py
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Original file line number Diff line number Diff line change
Expand Up @@ -207,7 +207,7 @@ def _get_potential_citations(potential):
@property
def potential(self):
"""
Execute view_potential() or list_potential() in order to see the pre-defined potential files
Execute view_potentials() or list_potentials() in order to see the pre-defined potential files

Returns:

Expand All @@ -217,7 +217,7 @@ def potential(self):
@potential.setter
def potential(self, potential_filename):
"""
Execute view_potential() or list_potential() in order to see the pre-defined potential files
Execute view_potentials() or list_potentials() in order to see the pre-defined potential files

Args:
potential_filename:
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10 changes: 10 additions & 0 deletions pyiron_atomistics/lammps/potential.py
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Expand Up @@ -238,6 +238,16 @@ def __init__(self, potential_df=None, default_df=None, selected_atoms=None):
default_df=default_df,
selected_atoms=selected_atoms,
)
if len(self.list()) == 0:
state.logger.warning(
"It looks like your potential database is empty. In order to"
" install the standard pyiron library, run:\n\n"
"conda install -c conda-forge pyiron-data\n\n"
"Depending on the circumstances, you might have to change the"
" RESOURCE_PATHS of your .pyiron file. It is typically located in"
" your home directory. More can be found on the installation page"
" of the pyiron website."
)

def default(self):
if self._default_df is not None:
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