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OpenDAS
torchani
Commits
53f32530
Commit
53f32530
authored
May 27, 2025
by
zhanggzh
Browse files
add torchani src code
parent
17204c6d
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tests/test_ase.py
tests/test_ase.py
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tests/test_ase.py
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53f32530
...
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@@ -3,10 +3,10 @@ from ase.md.langevin import Langevin
from
ase.md.nptberendsen
import
NPTBerendsen
from
ase
import
units
from
ase.io
import
read
from
ase.calculators.
test
import
numeric_force
from
ase.calculators.
fd
import
_numeric_force
as
numeric_force
from
torchani.testing
import
TestCase
import
numpy
as
np
import
torch
import
torch
import
torchani
import
unittest
import
os
...
...
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