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doc/src/Fortran.rst

@@ -1641,9 +1641,9 @@ Procedures Bound to the :f:type:`lammps` Derived Type
    .. versionadded:: TBD
 
    This function copies the list of all dihedrals into an allocatable array.
-   The array will be filled with (dihedral type, dihedral atom 1, dihedral atom 2, 
-   dihedral atom 3, dihedral atom 4) for each dihedral. The array is allocated to 
-   the right length (i.e., five times the number of dihedrals). 
+   The array will be filled with (dihedral type, dihedral atom 1, dihedral atom 2,
+   dihedral atom 3, dihedral atom 4) for each dihedral. The array is allocated to
+   the right length (i.e., five times the number of dihedrals).
    The array *data* must be of the same type as the LAMMPS
    ``tagint`` type, which is equivalent to either ``INTEGER(c_int)`` or
    ``INTEGER(c_int64_t)``, depending on whether ``-DLAMMPS_BIGBIG`` was used
@@ -1687,9 +1687,9 @@ Procedures Bound to the :f:type:`lammps` Derived Type
    .. versionadded:: TBD
 
    This function copies the list of all impropers into an allocatable array.
-   The array will be filled with (improper type, improper atom 1, improper atom 2, 
-   improper atom 3, improper atom 4) for each improper. The array is allocated to 
-   the right length (i.e., five times the number of impropers). 
+   The array will be filled with (improper type, improper atom 1, improper atom 2,
+   improper atom 3, improper atom 4) for each improper. The array is allocated to
+   the right length (i.e., five times the number of impropers).
    The array *data* must be of the same type as the LAMMPS
    ``tagint`` type, which is equivalent to either ``INTEGER(c_int)`` or
    ``INTEGER(c_int64_t)``, depending on whether ``-DLAMMPS_BIGBIG`` was used

python/lammps/core.py

@@ -217,8 +217,8 @@ class lammps(object):
     self.lib.lammps_gather_dihedrals.restype = None
 
     self.lib.lammps_gather_impropers.argtypes = [c_void_p,c_void_p]
-    self.lib.lammps_gather_impropers.restype = None    
-    
+    self.lib.lammps_gather_impropers.restype = None
+
     self.lib.lammps_gather.argtypes = [c_void_p,c_char_p,c_int,c_int,c_void_p]
     self.lib.lammps_gather.restype = None
 
@@ -1330,7 +1330,7 @@ class lammps(object):
         return nangles,data
 
   # -------------------------------------------------------------------------
-  
+
   def gather_dihedrals(self):
     """Retrieve global list of dihedrals
 
@@ -1375,8 +1375,8 @@ class lammps(object):
         self.lib.lammps_gather_impropers(self.lmp,data)
         return nimpropers,data
 
-  # -------------------------------------------------------------------------  
-  
+  # -------------------------------------------------------------------------
+
   # return vector of atom/compute/fix properties gathered across procs
   # 3 variants to match src/library.cpp
   # name = atom property recognized by LAMMPS in atom->extract()

src/library.cpp

@@ -3275,7 +3275,7 @@ void lammps_gather_angles(void *handle, void *data)
 
 This function copies the list of all dihedrals into a buffer provided by
 the calling code. The buffer will be filled with dihedral type, dihedral atom 1,
-dihedral atom 2, dihedral atom 3, dihedral atom 4 for each dihedral. 
+dihedral atom 2, dihedral atom 3, dihedral atom 4 for each dihedral.
 Thus the buffer has to be allocated to the
 dimension of 5 times the **total** number of dihedrals times the size of
 the LAMMPS "tagint" type, which is either 4 or 8 bytes depending on
@@ -3386,7 +3386,7 @@ void lammps_gather_dihedrals(void *handle, void *data)
 
 This function copies the list of all impropers into a buffer provided by
 the calling code. The buffer will be filled with improper type, improper atom 1,
-improper atom 2, improper atom 3, improper atom 4 for each improper. 
+improper atom 2, improper atom 3, improper atom 4 for each improper.
 Thus the buffer has to be allocated to the
 dimension of 5 times the **total** number of impropers times the size of
 the LAMMPS "tagint" type, which is either 4 or 8 bytes depending on