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

This commit is contained in:
sjplimp 2014-01-29 23:37:20 +00:00
parent c758cc119f
commit 16131a3240
6 changed files with 24 additions and 24 deletions
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2
src/Make.sh
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@ -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

10
src/neigh_full.cpp
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@ -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;

10
src/neigh_half_bin.cpp
View File

@ -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;

8
src/neigh_half_multi.cpp
View File

@ -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;

6
src/neigh_half_nsq.cpp
View File

@ -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;

12
src/neigh_respa.cpp
View File

@ -129,7 +129,7 @@ void Neighbor::respa_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 (minchange = domain->minimum_image_check(delx,dely,delz))
neighptr[n++] = j;
@ -307,7 +307,7 @@ void Neighbor::respa_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 (minchange = domain->minimum_image_check(delx,dely,delz))
neighptr[n++] = j;
@ -476,7 +476,7 @@ void Neighbor::respa_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 (minchange = domain->minimum_image_check(delx,dely,delz))
neighptr[n++] = j;
@ -649,7 +649,7 @@ void Neighbor::respa_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 (minchange = domain->minimum_image_check(delx,dely,delz))
neighptr[n++] = j;
@ -693,7 +693,7 @@ void Neighbor::respa_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 (minchange = domain->minimum_image_check(delx,dely,delz))
neighptr[n++] = j;
@ -871,7 +871,7 @@ void Neighbor::respa_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 (minchange = domain->minimum_image_check(delx,dely,delz))
neighptr[n++] = j;