Removing unneeded feature

doc/src/Howto_bpm.rst

@@ -65,9 +65,9 @@ Various properties of bonds can be computed using the
 :doc:`compute property/bond <compute_property_bond>` command. This
 command allows one to access data saved to the bond's history
 such as the reference length of the bond. More information on
-historical data can be found on the documentation pages for the specific
-BPM bond styles. Finally, this data can be output using `dump local <dump>`.
-As one may output many columns from the same compute, the
+bond history data can be found on the documentation pages for the specific
+BPM bond styles. Finally, this data can be output using a :doc:`dump local <dump>`
+command. As one may output many columns from the same compute, the
 :doc:`dump modify <dump_modify>` *colname* option may be used to provide
 more helpful column names. An example of this procedure is found in
 /examples/bpm/pour/. External software, such as OVITO, can read these dump
@@ -80,13 +80,16 @@ As bonds can be broken between neighbor list builds, the
 bond styles. There are two possible settings which determine how pair
 interactions work between bonded particles.  First, one can overlay
 pair forces with bond forces such that all bonded particles also
-feel pair interactions. This can be accomplished by using the *overlay/pair* keyword present in all bpm bond styles and by using the following special bond settings
+feel pair interactions. This can be accomplished by using the *overlay/pair*
+keyword present in all bpm bond styles and by using the following special
+bond settings
 
    .. code-block:: LAMMPS
 
       special_bonds lj/coul 1 1 1
 
-Alternatively, one can turn off all pair interactions between bonded particles. Unlike :doc:`bond quartic <bond_quartic>`, this is not done
+Alternatively, one can turn off all pair interactions between bonded
+particles. Unlike :doc:`bond quartic <bond_quartic>`, this is not done
 by subtracting pair forces during the bond computation but rather by
 dynamically updating the special bond list. This is the default behavior
 of BPM bond styles and is done by updating the 1-2 special bond list as

doc/src/bond_bpm_rotational.rst

@@ -179,7 +179,7 @@ This bond style writes the reference state of each bond to
 :doc:`binary restart files <restart>`. Loading a restart file will
 properly resume bonds. However, the reference state is NOT
 written to data files. Therefore reading a data file will not
-restore bonds which will recalculate their reference state.
+restore bonds and will cause their reference states to be redefined.
 
 The single() function of these pair styles returns 0.0 for the energy
 of a pairwise interaction, since energy is not conserved in these
@@ -207,11 +207,12 @@ of a bonded interaction, since energy is not conserved in these
 dissipative potentials.  It also returns only the normal component of
 the bonded interaction force.  However, the single() function also
 calculates 7 extra bond quantities.  The first 4 are data from the
-reference state of the bond including the magnitude :math:`r_0`
-followed by the :math:`x`, :math:`y`, and :math:`z` components of the
-initial unit vector pointing to particle I from particle J. The next 3
-(5-7) are the components of the total force, including normal and
-tangential contributions, acting on particle I.
+reference state of the bond including the initial distance between particles
+:math:`r_0` followed by the :math:`x`, :math:`y`, and :math:`z` components
+of the initial unit vector pointing to particle I from particle J. The next 3
+quantities (5-7) are the  :math:`x`, :math:`y`, and :math:`z` components
+of the total force, including normal and tangential contributions, acting
+on particle I.
 
 These extra quantities can be accessed by the :doc:`compute bond/local <compute_bond_local>`
 command, as *b1*, *b2*, ..., *b7*\ .

doc/src/bond_bpm_spring.rst

@@ -143,7 +143,7 @@ This bond style writes the reference state of each bond to
 :doc:`binary restart files <restart>`. Loading a restart
 file will properly restore bonds. However, the reference state is NOT
 written to data files. Therefore reading a data file will not
-restore bonds which will recalculate their reference state.
+restore bonds and will cause their reference states to be redefined.
 
 The single() function of these pair styles returns 0.0 for the energy
 of a pairwise interaction, since energy is not conserved in these

doc/src/pair_bpm_spring.rst

@@ -59,7 +59,7 @@ include this pair interaction and overlay the pair force over the bond
 force or to exclude this pair interaction such that the two particles
 only interact via the bond force. See discussion of the *overlay/pair*
 option for BPM bond styles and the :doc:`special_bonds <special_bonds>`
-command in the `:doc: how to <Howto_BPM>` page on BPMs for more details.
+command in the :doc:`how to <Howto_BPM>` page on BPMs for more details.
 
 The following coefficients must be defined for each pair of atom types
 via the :doc:`pair_coeff <pair_coeff>` command as in the examples

src/BPM/compute_nbond_atom.cpp

@@ -29,17 +29,11 @@ using namespace LAMMPS_NS;
 ComputeNBondAtom::ComputeNBondAtom(LAMMPS *_lmp, int narg, char **arg) :
     Compute(_lmp, narg, arg), nbond(nullptr)
 {
-  if ((narg < 3) || (narg > 4)) error->all(FLERR, "Illegal compute nbond/atom command");
+  if (narg < 3) error->all(FLERR, "Illegal compute nbond/atom command");
 
   peratom_flag = 1;
   size_peratom_cols = 0;
   comm_reverse = 1;
-  comm_forward = 0;
-
-  if (narg == 4) {
-    if (utils::strmatch(arg[3], "forward")) comm_forward = 1;
-    else error->all(FLERR, "Illegal compute nbond/atom argument {}", arg[3]);
-  }
 
   nmax = 0;
 }
@@ -106,9 +100,6 @@ void ComputeNBondAtom::compute_peratom()
 
   for (i = 0; i < nlocal; i++)
     if (!(mask[i] & groupbit)) nbond[i] = 0.0;
-
-  // forward to ghosts if requested
-  if (comm_forward != 0) comm->forward_comm(this);
 }
 
 /* ---------------------------------------------------------------------- */
@@ -135,31 +126,6 @@ void ComputeNBondAtom::unpack_reverse_comm(int n, int *list, double *buf)
     nbond[j] += buf[m++];
   }
 }
-/* ---------------------------------------------------------------------- */
-
-int ComputeNBondAtom::pack_forward_comm(int n, int *list, double *buf,
-                                          int /*pbc_flag*/, int * /*pbc*/)
-{
-  int i,j,m;
-
-  m = 0;
-  for (i = 0; i < n; i++) {
-    j = list[i];
-    buf[m++] = nbond[j];
-  }
-  return m;
-}
-
-/* ---------------------------------------------------------------------- */
-
-void ComputeNBondAtom::unpack_forward_comm(int n, int first, double *buf)
-{
-  int i,m,last;
-
-  m = 0;
-  last = first + n;
-  for (i = first; i < last; i++) nbond[i] = buf[m++];
-}
 
 /* ----------------------------------------------------------------------
    memory usage of local atom-based array

src/BPM/compute_nbond_atom.h

@@ -32,8 +32,6 @@ class ComputeNBondAtom : public Compute {
   void compute_peratom() override;
   int pack_reverse_comm(int, int, double *) override;
   void unpack_reverse_comm(int, int *, double *) override;
-  int pack_forward_comm(int, int *, double *, int, int *) override;
-  void unpack_forward_comm(int, int, double *) override;
   double memory_usage() override;
 
  private: