remove the unnecessary @Multicomponent

SSAGESLabs · Aug 9, 2024 · ff9da18 · ff9da18
1 parent 1ca2bc3
commit ff9da18
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Showing 2 changed files with 1 addition and 4 deletions.
diff --git a/pysages/colvars/contacts.py b/pysages/colvars/contacts.py
@@ -9,7 +9,7 @@
 """
 from jax import numpy as np
 
-from pysages.colvars.core import CollectiveVariable, multicomponent
+from pysages.colvars.core import CollectiveVariable
 
 
 def remap_indices(contacts, sorted_unique_indices):
@@ -25,7 +25,6 @@ def remap_indices(contacts, sorted_unique_indices):
     return remapped_contacts
 
 
-@multicomponent
 class NativeContactFraction(CollectiveVariable):
     """
     Calculate the native contact fraction Q.

diff --git a/pysages/colvars/orientation.py b/pysages/colvars/orientation.py
@@ -126,7 +126,6 @@ def function(self):
         return lambda r: rmsd(r, self.Q, self.weights, self.optimal_rotation)
 
 
-@multicomponent
 class ERMSD(CollectiveVariable):
     """
     Use a reference to calculate the eRMSD of a set of RNA structures.
@@ -378,7 +377,6 @@ def ermsd(rs, reference, cutoff, a, b):
     return ermsd_core(rs, reference, cutoff, a, b)
 
 
-@multicomponent
 class ERMSDCG(CollectiveVariable):
     """
     Use a reference to calculate the eRMSD of