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lines changed Original file line number Diff line number Diff line change @@ -385,7 +385,6 @@ def gd_init(
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cell = state .cell ,
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pbc = state .pbc ,
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reference_cell = state .cell .clone (),
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- row_vector_cell = state .row_vector_cell .clone (),
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cell_factor = cell_factor ,
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hydrostatic_strain = hydrostatic_strain ,
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constant_volume = constant_volume ,
@@ -937,7 +936,6 @@ def fire_init(
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cell_masses = cell_masses ,
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# Optimization attributes
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reference_cell = state .cell .clone (),
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- row_vector_cell = state .row_vector_cell .clone (),
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cell_factor = cell_factor ,
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pressure = pressure ,
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dt = dt_start ,
@@ -1244,7 +1242,6 @@ def fire_init(
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cell_masses = cell_masses ,
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# Optimization attributes
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reference_cell = state .cell .clone (),
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- row_vector_cell = state .row_vector_cell .clone (),
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cell_factor = cell_factor ,
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pressure = pressure ,
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dt = dt_start ,
Original file line number Diff line number Diff line change @@ -498,9 +498,8 @@ class DeformGradMixin:
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"""Mixin for states that support deformation gradients."""
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reference_cell : torch .Tensor
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- row_vector_cell : torch .Tensor
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- _system_attributes : ClassVar [set [str ]] = {"reference_cell" , "row_vector_cell" }
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+ _system_attributes : ClassVar [set [str ]] = {"reference_cell" }
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@property
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def reference_row_vector_cell (self ) -> torch .Tensor :
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