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Merge pull request #1622 from pyiron/pyscal3
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Use either pyscal2/3 in calphy job
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pmrv authored Dec 10, 2024
2 parents be85d6c + c13916e commit 7e660db
Showing 1 changed file with 7 additions and 1 deletion.
8 changes: 7 additions & 1 deletion pyiron_atomistics/calphy/job.py
Original file line number Diff line number Diff line change
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from calphy import Alchemy, Calculation, Liquid, Solid
from calphy import __version__ as calphy_version
from calphy.routines import routine_alchemy, routine_fe, routine_pscale, routine_ts
from pyscal.trajectory import Trajectory as PyscalTrajectory

# both trajectory classes behave the same, so we can use either depending
# on the env
try:
from pyscal.trajectory import Trajectory as PyscalTrajectory
except ImportError:
from pyscal3.trajectory import Trajectory as PyscalTrajectory

__author__ = "Sarath Menon"
__copyright__ = (
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