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Update pwdft loading in pynta
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rayhe88 committed Oct 11, 2023
1 parent 4ee278f commit a7f811b
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Showing 3 changed files with 4 additions and 4 deletions.
4 changes: 2 additions & 2 deletions pynta/ase_pwdft/pwdft.py
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import os
import numpy as np

from pwdftio.pwdftwriter import write_pwdft_in
from pwdftio.pwdftreader import read_pwdft_out
from .pwdftio.pwdftwriter import write_pwdft_in
from .pwdftio.pwdftreader import read_pwdft_out
from ase.units import Hartree
from ase.calculators.calculator import FileIOCalculator

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2 changes: 1 addition & 1 deletion pynta/ase_pwdft/pwdftio/__init__.py
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from .pwdftwriter import write_pwdft_in
from .pwdftreader_in import read_pwdft_in

__all__ = ['read_pwdft_out', 'write_pwdft_in', 'read_pwdft_in']
__all__ = ['read_pwdft_out', 'write_pwdft_in', 'read_pwdft_in']
2 changes: 1 addition & 1 deletion pynta/ase_pwdft/setup.py
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Expand Up @@ -18,5 +18,5 @@
classifiers=[
"Programming Language :: Python :: 3",
"Operating System :: Linux"
]
]
)

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