Commit 16131a32 authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11385 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent c758cc11

src/Make.sh

+1 −1
Original line number Diff line number Diff line
@@ -65,7 +65,7 @@ if (test $1 = "style") then 
  style COMMAND_CLASS   ""          command    input

  style COMPUTE_CLASS   compute_    compute    modify    modify_cuda

  style DIHEDRAL_CLASS  dihedral_   dihedral   force

  style DUMP_CLASS      dump_       dump       output

  style DUMP_CLASS      dump_       dump       output    write_dump

  style FIX_CLASS       fix_        fix        modify

  style IMPROPER_CLASS  improper_   improper   force

  style INTEGRATE_CLASS ""          integrate  update

src/neigh_full.cpp

+5 −5
Original line number Diff line number Diff line
@@ -101,7 +101,7 @@ void Neighbor::full_nsq(NeighList *list) 
            which = find_special(onemols[imol]->special[iatom],

                                 onemols[imol]->nspecial[iatom],

                                 tag[j]-tagprev);

          else which == 0;

          else which = 0;

          if (which == 0) neighptr[n++] = j;

          else if (domain->minimum_image_check(delx,dely,delz))

            neighptr[n++] = j;
@@ -198,7 +198,7 @@ void Neighbor::full_nsq_ghost(NeighList *list) 
              which = find_special(onemols[imol]->special[iatom],

                                   onemols[imol]->nspecial[iatom],

                                   tag[j]-tagprev);

            else which == 0;

            else which = 0;

            if (which == 0) neighptr[n++] = j;

            else if (domain->minimum_image_check(delx,dely,delz))

              neighptr[n++] = j;
@@ -317,7 +317,7 @@ void Neighbor::full_bin(NeighList *list) 
              which = find_special(onemols[imol]->special[iatom],

                                   onemols[imol]->nspecial[iatom],

                                   tag[j]-tagprev);

            else which == 0;

            else which = 0;

            if (which == 0) neighptr[n++] = j;

            else if (domain->minimum_image_check(delx,dely,delz))

              neighptr[n++] = j;
@@ -428,7 +428,7 @@ void Neighbor::full_bin_ghost(NeighList *list) 
                which = find_special(onemols[imol]->special[iatom],

                                     onemols[imol]->nspecial[iatom],

                                     tag[j]-tagprev);

              else which == 0;

              else which = 0;

              if (which == 0) neighptr[n++] = j;

              else if (domain->minimum_image_check(delx,dely,delz))

                neighptr[n++] = j;
@@ -567,7 +567,7 @@ void Neighbor::full_multi(NeighList *list) 
              which = find_special(onemols[imol]->special[iatom],

                                   onemols[imol]->nspecial[iatom],

                                   tag[j]-tagprev);

            else which == 0;

            else which = 0;

            if (which == 0) neighptr[n++] = j;

            else if (domain->minimum_image_check(delx,dely,delz))

              neighptr[n++] = j;

src/neigh_half_bin.cpp

+5 −5
Original line number Diff line number Diff line
@@ -110,7 +110,7 @@ void Neighbor::half_bin_no_newton(NeighList *list) 
              which = find_special(onemols[imol]->special[iatom],

                                   onemols[imol]->nspecial[iatom],

                                   tag[j]-tagprev);

            else which == 0;

            else which = 0;

            if (which == 0) neighptr[n++] = j;

            else if (domain->minimum_image_check(delx,dely,delz))

              neighptr[n++] = j;
@@ -229,7 +229,7 @@ void Neighbor::half_bin_no_newton_ghost(NeighList *list) 
                which = find_special(onemols[imol]->special[iatom],

                                     onemols[imol]->nspecial[iatom],

                                     tag[j]-tagprev);

              else which == 0;

              else which = 0;

              if (which == 0) neighptr[n++] = j;

              else if (domain->minimum_image_check(delx,dely,delz))

                neighptr[n++] = j;
@@ -365,7 +365,7 @@ void Neighbor::half_bin_newton(NeighList *list) 
            which = find_special(onemols[imol]->special[iatom],

                                 onemols[imol]->nspecial[iatom],

                                 tag[j]-tagprev);

          else which == 0;

          else which = 0;

          if (which == 0) neighptr[n++] = j;

          else if (domain->minimum_image_check(delx,dely,delz))

            neighptr[n++] = j;
@@ -396,7 +396,7 @@ void Neighbor::half_bin_newton(NeighList *list) 
              which = find_special(onemols[imol]->special[iatom],

                                   onemols[imol]->nspecial[iatom],

                                   tag[j]-tagprev);

            else which == 0;

            else which = 0;

            if (which == 0) neighptr[n++] = j;

            else if (domain->minimum_image_check(delx,dely,delz))

              neighptr[n++] = j;
@@ -512,7 +512,7 @@ void Neighbor::half_bin_newton_tri(NeighList *list) 
              which = find_special(onemols[imol]->special[iatom],

                                   onemols[imol]->nspecial[iatom],

                                   tag[j]-tagprev);

            else which == 0;

            else which = 0;

            if (which == 0) neighptr[n++] = j;

            else if (domain->minimum_image_check(delx,dely,delz))

              neighptr[n++] = j;

src/neigh_half_multi.cpp

+4 −4
Original line number Diff line number Diff line
@@ -118,7 +118,7 @@ void Neighbor::half_multi_no_newton(NeighList *list) 
              which = find_special(onemols[imol]->special[iatom],

                                   onemols[imol]->nspecial[iatom],

                                   tag[j]-tagprev);

            else which == 0;

            else which = 0;

            if (which == 0) neighptr[n++] = j;

            else if (domain->minimum_image_check(delx,dely,delz))

              neighptr[n++] = j;
@@ -231,7 +231,7 @@ void Neighbor::half_multi_newton(NeighList *list) 
            which = find_special(onemols[imol]->special[iatom],

                                 onemols[imol]->nspecial[iatom],

                                 tag[j]-tagprev);

          else which == 0;

          else which = 0;

          if (which == 0) neighptr[n++] = j;

          else if (domain->minimum_image_check(delx,dely,delz))

            neighptr[n++] = j;
@@ -268,7 +268,7 @@ void Neighbor::half_multi_newton(NeighList *list) 
              which = find_special(onemols[imol]->special[iatom],

                                   onemols[imol]->nspecial[iatom],

                                   tag[j]-tagprev);

            else which == 0;

            else which = 0;

            if (which == 0) neighptr[n++] = j;

            else if (domain->minimum_image_check(delx,dely,delz))

              neighptr[n++] = j;
@@ -393,7 +393,7 @@ void Neighbor::half_multi_newton_tri(NeighList *list) 
              which = find_special(onemols[imol]->special[iatom],

                                   onemols[imol]->nspecial[iatom],

                                   tag[j]-tagprev);

            else which == 0;

            else which = 0;

            if (which == 0) neighptr[n++] = j;

            else if (domain->minimum_image_check(delx,dely,delz))

              neighptr[n++] = j;

src/neigh_half_nsq.cpp

+3 −3
Original line number Diff line number Diff line
@@ -101,7 +101,7 @@ void Neighbor::half_nsq_no_newton(NeighList *list) 
            which = find_special(onemols[imol]->special[iatom],

                                 onemols[imol]->nspecial[iatom],

                                 tag[j]-tagprev);

          else which == 0;

          else which = 0;

          if (which == 0) neighptr[n++] = j;

          else if (domain->minimum_image_check(delx,dely,delz))

            neighptr[n++] = j;
@@ -207,7 +207,7 @@ void Neighbor::half_nsq_no_newton_ghost(NeighList *list) 
              which = find_special(onemols[imol]->special[iatom],

                                   onemols[imol]->nspecial[iatom],

                                   tag[j]-tagprev);

            else which == 0;

            else which = 0;

            if (which == 0) neighptr[n++] = j;

            else if (domain->minimum_image_check(delx,dely,delz))

              neighptr[n++] = j;
@@ -339,7 +339,7 @@ void Neighbor::half_nsq_newton(NeighList *list) 
            which = find_special(onemols[imol]->special[iatom],

                                 onemols[imol]->nspecial[iatom],

                                 tag[j]-tagprev);

          else which == 0;

          else which = 0;

          if (which == 0) neighptr[n++] = j;

          else if (domain->minimum_image_check(delx,dely,delz))

            neighptr[n++] = j;

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