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lines changed Original file line number Diff line number Diff line change 8484 if : ${{ matrix.ambertools == false }}
8585 run : |
8686 micromamba remove ambertools parmed
87- micromamba install "packmol >=20.15.0" "lammps>=2024" "numpy>=2.3 "
87+ micromamba install "packmol >=20.15.0" "lammps>=2024" "numpy>=2.4 "
8888
8989 - name : Install OpenFF NAGL
9090 if : ${{ matrix.nagl == true }}
Original file line number Diff line number Diff line change 11"""Models for storing applied force field parameters."""
22
3+ from __future__ import annotations
4+
35import ast
46import json
57from typing import TYPE_CHECKING , Annotated , Any , TypeAlias
@@ -346,7 +348,7 @@ def parametrize(
346348 self ,
347349 p = None ,
348350 use_jax : bool = True ,
349- ) -> ArrayLike | " Array" :
351+ ) -> ArrayLike | Array :
350352 """Return an array of system parameters, given an array of force field parameters."""
351353 if p is None :
352354 p = self .get_force_field_parameters (use_jax = use_jax )
@@ -363,7 +365,7 @@ def parametrize_partial(self):
363365 )
364366
365367 @requires_package ("jax" )
366- def get_param_matrix (self ) -> ArrayLike | " Array" :
368+ def get_param_matrix (self ) -> ArrayLike | Array :
367369 """Get a matrix representing the mapping between force field and system parameters."""
368370 from functools import partial
369371
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