reassign error URL numbers to match list in pull request

doc/src/Errors_details.rst

@@ -12,9 +12,12 @@ following are discussions of such cases.
 - :ref:`Incorrect format in ... section of data file <err0002>`
 - :ref:`Illegal variable command: expected X arguments but found Y <err0003>`
 - :ref:`Out of range atoms - cannot compute ... <err0004>`
-- :ref:`Cannot use neighbor bins - box size \<\< cutoff <err0005>`
+- :ref:`Too many neighbor bins <err0009>`
-- :ref:`Too many neighbor bins <err0006>`
+- :ref:`Cannot use neighbor bins - box size \<\< cutoff <err0015>`
-- :ref:`Domain too large for neighbor bins <err0007>`
+- :ref:`Domain too large for neighbor bins <err0017>`
+- :ref:`Molecule topology/atom exceeds system topology/atom <err0024>`
+- :ref:`Molecule topology type exceeds system topology type <err0025>`
+- :ref:`Molecule attributes do not match system attributes <err0026>`
 
 ------
 
@@ -276,7 +279,19 @@ help to temporarily use a cutoff-Coulomb pair style and no kspace style
 until the system has somewhat equilibrated and then switch to the
 long-range solver.
 
-.. _err0005:
+.. _err0009:
+
+Too many neighbor bins
+----------------------
+
+The simulation box has become too large relative to the size of a
+neighbor bin and LAMMPS is unable to store the needed number of
+bins. This typically implies the simulation box has expanded too far.
+This can happen when some atoms move rapidly apart with shrinkwrap
+boundaries or when a fix (like fix deform or a barostat) excessively
+grows the simulation box.
+
+.. _err0015:
 
 Cannot use neighbor bins - box size \<\< cutoff
 -----------------------------------------------
@@ -290,19 +305,7 @@ fill space. This error can be avoided using the generally slower
 :doc:`nsq neighbor style <neighbor>` or by increasing the size of the
 smallest box lengths.
 
-.. _err0006:
+.. _err0017:
-
-Too many neighbor bins
-----------------------
-
-The simulation box has become too large relative to the size of a
-neighbor bin and LAMMPS is unable to store the needed number of
-bins. This typically implies the simulation box has expanded too far.
-This can happen when some atoms move rapidly apart with shrinkwrap
-boundaries or when a fix (like fix deform or a barostat) excessively
-grows the simulation box.
-
-.. _err0007:
 
 Domain too large for neighbor bins
 ----------------------------------
@@ -312,3 +315,18 @@ be used. Too many neighbor bins would need to be created to fill space
 Most likely, one or more atoms have been blown out of the simulation
 box to a great distance or a fix (like fix deform or a barostat) has
 excessively grown the simulation box.
+
+.. _err0024:
+
+Molecule topology/atom exceeds system topology/atom
+---------------------------------------------------
+
+.. _err0025:
+
+Molecule topology type exceeds system topology type
+---------------------------------------------------
+
+.. _err0026:
+
+Molecule attributes do not match system attributes
+--------------------------------------------------

src/INTEL/npair_bin_ghost_intel.cpp

@@ -48,7 +48,7 @@ void NPairFullBinGhostIntel::build(NeighList *list)
   #endif
 
   if (nstencil > INTEL_MAX_STENCIL_CHECK)
-    error->all(FLERR, "Too many neighbor bins for INTEL package.");
+    error->all(FLERR, "Too many neighbor bins for INTEL package" + utils::errorurl(9));
 
   #ifdef _LMP_INTEL_OFFLOAD
   if (exclude)

src/INTEL/npair_bin_intel.cpp

@@ -41,7 +41,7 @@ NPairHalfBinNewtonIntel::NPairHalfBinNewtonIntel(LAMMPS *lmp) :
 void NPairHalfBinNewtonIntel::build(NeighList *list)
 {
   if (nstencil / 2 > INTEL_MAX_STENCIL_CHECK)
-    error->all(FLERR, "Too many neighbor bins for INTEL package.");
+    error->all(FLERR, "Too many neighbor bins for INTEL package" + utils::errorurl(9));
 
   #ifdef _LMP_INTEL_OFFLOAD
   if (exclude)
@@ -123,7 +123,7 @@ NPairHalfBinNewtonTriIntel::NPairHalfBinNewtonTriIntel(LAMMPS *lmp) :
 void NPairHalfBinNewtonTriIntel::build(NeighList *list)
 {
   if (nstencil > INTEL_MAX_STENCIL)
-    error->all(FLERR, "Too many neighbor bins for INTEL package.");
+    error->all(FLERR, "Too many neighbor bins for INTEL package" + utils::errorurl(9));
 
   #ifdef _LMP_INTEL_OFFLOAD
   if (exclude)
@@ -202,7 +202,7 @@ NPairFullBinIntel::NPairFullBinIntel(LAMMPS *lmp) : NPairIntel(lmp) {}
 void NPairFullBinIntel::build(NeighList *list)
 {
   if (nstencil > INTEL_MAX_STENCIL_CHECK)
-    error->all(FLERR, "Too many neighbor bins for INTEL package.");
+    error->all(FLERR, "Too many neighbor bins for INTEL package" + utils::errorurl(9));
 
   #ifdef _LMP_INTEL_OFFLOAD
   if (exclude)

src/INTEL/npair_full_bin_intel.cpp

@@ -38,7 +38,7 @@ NPairFullBinIntel::NPairFullBinIntel(LAMMPS *lmp) : NPairIntel(lmp) {}
 void NPairFullBinIntel::build(NeighList *list)
 {
   if (nstencil > INTEL_MAX_STENCIL_CHECK)
-    error->all(FLERR, "Too many neighbor bins for INTEL package.");
+    error->all(FLERR, "Too many neighbor bins for INTEL package" + utils::errorurl(9));
 
   #ifdef _LMP_INTEL_OFFLOAD
   if (exclude)

src/nbin_multi.cpp

@@ -205,7 +205,7 @@ void NBinMulti::setup_bins(int /*style*/)
 
     if (bbox[0]*binsizeinv > MAXSMALLINT || bbox[1]*binsizeinv > MAXSMALLINT ||
             bbox[2]*binsizeinv > MAXSMALLINT)
-      error->all(FLERR,"Domain too large for neighbor bins{}", utils::errorurl(7));
+      error->all(FLERR,"Domain too large for neighbor bins" + utils::errorurl(17));
 
     // create actual bins
     // always have one bin even if cutoff > bbox
@@ -236,9 +236,9 @@ void NBinMulti::setup_bins(int /*style*/)
 
     if (binsize_optimal*bininvx_multi[n] > CUT2BIN_RATIO ||
             binsize_optimal*bininvy_multi[n] > CUT2BIN_RATIO)
-      error->all(FLERR,"Cannot use neighbor bins - box size << cutoff{}", utils::errorurl(5));
+      error->all(FLERR,"Cannot use neighbor bins - box size << cutoff" + utils::errorurl(15));
     if ((dimension == 3) && (binsize_optimal*bininvz_multi[n] > CUT2BIN_RATIO))
-      error->all(FLERR,"Cannot use neighbor bins - box size << cutoff{}", utils::errorurl(5));
+      error->all(FLERR,"Cannot use neighbor bins - box size << cutoff" + utils::errorurl(15));
 
     // mbinlo/hi = lowest and highest global bins my ghost atoms could be in
     // coord = lowest and highest values of coords for my ghost atoms
@@ -284,7 +284,7 @@ void NBinMulti::setup_bins(int /*style*/)
 
     bigint bbin = ((bigint) mbinx_multi[n])
       * ((bigint) mbiny_multi[n]) * ((bigint) mbinz_multi[n]) + 1;
-    if (bbin > MAXSMALLINT) error->one(FLERR,"Too many neighbor bins{}", utils::errorurl(6));
+    if (bbin > MAXSMALLINT) error->one(FLERR,"Too many neighbor bins" + utils::errorurl(9));
     mbins_multi[n] = bbin;
   }
 

src/nbin_standard.cpp

@@ -130,7 +130,7 @@ void NBinStandard::setup_bins(int style)
 
   if (bbox[0]*binsizeinv > MAXSMALLINT || bbox[1]*binsizeinv > MAXSMALLINT ||
       bbox[2]*binsizeinv > MAXSMALLINT)
-    error->all(FLERR,"Domain too large for neighbor bins{}", utils::errorurl(7));
+    error->all(FLERR,"Domain too large for neighbor bins" + utils::errorurl(17));
 
   // create actual bins
   // always have one bin even if cutoff > bbox
@@ -162,7 +162,7 @@ void NBinStandard::setup_bins(int style)
   if (binsize_optimal*bininvx > CUT2BIN_RATIO ||
       binsize_optimal*bininvy > CUT2BIN_RATIO ||
       binsize_optimal*bininvz > CUT2BIN_RATIO)
-    error->all(FLERR,"Cannot use neighbor bins - box size << cutoff{}", utils::errorurl(5));
+    error->all(FLERR,"Cannot use neighbor bins - box size << cutoff" + utils::errorurl(15));
 
   // mbinlo/hi = lowest and highest global bins my ghost atoms could be in
   // coord = lowest and highest values of coords for my ghost atoms
@@ -210,7 +210,7 @@ void NBinStandard::setup_bins(int style)
   mbinz = mbinzhi - mbinzlo + 1;
 
   bigint bbin = ((bigint) mbinx) * ((bigint) mbiny) * ((bigint) mbinz) + 1;
-  if (bbin > MAXSMALLINT) error->one(FLERR,"Too many neighbor bins{}", utils::errorurl(6));
+  if (bbin > MAXSMALLINT) error->one(FLERR,"Too many neighbor bins" + utils::errorurl(9));
   mbins = bbin;
 }