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python/metatomic_torchsim Expand file tree Collapse file tree Original file line number Diff line number Diff line change @@ -152,7 +152,7 @@ def __init__(
152152 self ._model = model .to (device = self ._device )
153153 self ._compute_forces = compute_forces
154154 self ._compute_stress = compute_stress
155- self . _memory_scales_with = "n_atoms_x_density"
155+
156156 self ._requested_neighbor_lists = self ._model .requested_neighbor_lists ()
157157
158158 self ._evaluation_options = ModelEvaluationOptions (
Original file line number Diff line number Diff line change @@ -66,13 +66,3 @@ packages = ["metatomic_torchsim"]
6666
6767# ## ======================================================================== ###
6868
69- [tool .pytest .ini_options ]
70- python_files = [" *.py" ]
71- testpaths = [" tests" ]
72- filterwarnings = [
73- " error" ,
74- " ignore:`torch.jit.script` is deprecated. Please switch to `torch.compile` or `torch.export`:DeprecationWarning" ,
75- " ignore:`torch.jit.save` is deprecated. Please switch to `torch.export`:DeprecationWarning" ,
76- " ignore:`torch.jit.load` is deprecated. Please switch to `torch.export`:DeprecationWarning" ,
77- " ignore:.*vesin.metatomic was only tested with metatomic.torch >=0.1.3,<0.2.*:UserWarning" ,
78- ]
Original file line number Diff line number Diff line change @@ -208,21 +208,6 @@ commands =
208208 pytest --cov ={env_site_packages_dir}/metatomic --cov-report = --import-mode =append {posargs}
209209
210210
211- [testenv:torchsim-docs]
212- description = Build the metatomic-torchsim documentation
213- package = skip
214- deps =
215- shibuya
216- sphinx >=9
217- sphinx-autoapi >=3.6
218- myst-parser
219- {toxinidir}/python/metatomic_torchsim
220-
221- commands =
222- sphinx-build -W -b html \
223- {toxinidir}/python/metatomic_torchsim/docs \
224- {toxinidir}/python/metatomic_torchsim/docs/_build
225-
226211
227212[testenv:docs-tests]
228213description = Run the doctests defined in any metatomic package
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