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Use either pyscal2/3 in calphy job #1622

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merged 2 commits into from
Dec 10, 2024
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Use either pyscal2/3 in calphy job #1622

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Use either pyscal2/3 in calphy job
pmrv Dec 10, 2024
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[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Dec 10, 2024
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8 changes: 7 additions & 1 deletion pyiron_atomistics/calphy/job.py
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Expand Up @@ -27,7 +27,13 @@
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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