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Joshkamm/issue69 #72

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1e0fd63
#69 remove version cap for stk
joshkamm Apr 17, 2024
3e06b1b
Merge branch 'main' into joshkamm/issue69
joshkamm Apr 26, 2024
8a14815
#69 updating stk imports
joshkamm Apr 26, 2024
917fbb2
Merge remote-tracking branch 'origin/main' into joshkamm/issue69
joshkamm May 2, 2024
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3 changes: 2 additions & 1 deletion pyproject.toml
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Original file line number Diff line number Diff line change
Expand Up @@ -25,7 +25,8 @@ dependencies = [
"pytest",
"rdkit",
"setuptools", # necessary for pyGSM to run on python 3.11
"stk<=2021.8.2.0",
# "stk<=2021.8.2.0",
"stk",
"stko<=0.0.40",
"xtb",
]
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3 changes: 1 addition & 2 deletions src/conformational_sampling/metal_complexes.py
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@@ -1,8 +1,7 @@
from math import cos, pi, sin

from stk import Edge

from stk.molecular.topology_graphs.metal_complex import MetalComplex
from stk.metal_complex import MetalComplex
from stk.molecular.topology_graphs.metal_complex.vertices import (
BiDentateLigandVertex,
MetalVertex,
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