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delete unused instances
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rmgpy/solver/surface.pyx

Lines changed: 2 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -74,7 +74,6 @@ cdef class SurfaceReactor(ReactionSystem):
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cdef public bint coverage_dependence
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cdef public dict coverage_dependencies
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cdef public bint thermo_coverage_dependence
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cdef public dict thermo_coverage_dependencies
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@@ -118,7 +117,6 @@ cdef class SurfaceReactor(ReactionSystem):
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self.n_sims = n_sims
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self.coverage_dependencies = {}
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self.thermo_coverage_dependencies = {}
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def convert_initial_keys_to_species_objects(self, species_dict):
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"""
@@ -178,7 +176,8 @@ cdef class SurfaceReactor(ReactionSystem):
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cdef Py_ssize_t index
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cdef np.ndarray thermo_coeff_matrix = np.zeros((len(self.species_index), len(self.species_index), 6), dtype=np.float64)
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cdef np.ndarray stoi_matrix = np.zeros((self.reactant_indices.shape[0], len(self.species_index)), dtype=np.float64)
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self.thermo_coeff_matrix = thermo_coeff_matrix
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if self.thermo_coverage_dependence:
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self.thermo_coeff_matrix = thermo_coeff_matrix
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#: 1 if it's on a surface, 0 if it's in the gas phase
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reactions_on_surface = np.zeros((self.num_core_reactions + self.num_edge_reactions), int)
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species_on_surface = np.zeros((self.num_core_species), int)

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