From 7b0cb07757a92c075057482cca0548bc45e16916 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 30 Apr 2014 16:33:01 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11851
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/USER-REAXC/reaxc_basic_comm.cpp |  2 +-
 src/USER-REAXC/reaxc_io_tools.cpp   |  8 ++++----
 src/USER-REAXC/reaxc_nonbonded.cpp  |  4 ++--
 src/USER-REAXC/reaxc_types.h        | 21 ++++++++++++++-------
 4 files changed, 21 insertions(+), 14 deletions(-)

diff --git a/src/USER-REAXC/reaxc_basic_comm.cpp b/src/USER-REAXC/reaxc_basic_comm.cpp
index 243bdfd8ef..70d9d070d9 100644
--- a/src/USER-REAXC/reaxc_basic_comm.cpp
+++ b/src/USER-REAXC/reaxc_basic_comm.cpp
@@ -276,7 +276,7 @@ void Coll_ids_at_Master( reax_system *system, storage *workspace,
                          mpi_datatypes *mpi_data )
 {
   int i;
-  rctagint *id_list;
+  rc_tagint *id_list;
 
   MPI_Gather( &system->n, 1, MPI_INT, workspace->rcounts, 1, MPI_INT,
               MASTER_NODE, mpi_data->world );
diff --git a/src/USER-REAXC/reaxc_io_tools.cpp b/src/USER-REAXC/reaxc_io_tools.cpp
index 579bd77f0d..841a779254 100644
--- a/src/USER-REAXC/reaxc_io_tools.cpp
+++ b/src/USER-REAXC/reaxc_io_tools.cpp
@@ -792,7 +792,7 @@ void Print_Far_Neighbors( reax_system *system, reax_list **lists,
 {
   char  fname[100];
   int   i, j, nbr, natoms;
-  rctagint id_i, id_j;
+  rc_tagint id_i, id_j;
   FILE *fout;
   reax_list *far_nbrs;
 
@@ -994,7 +994,7 @@ int fn_qsort_intcmp( const void *a, const void *b )
 void Print_Bond_List2( reax_system *system, reax_list *bonds, char *fname )
 {
   int i,j, nbr, pj;
-  rctagint id_i, id_j;
+  rc_tagint id_i, id_j;
   FILE *f = fopen( fname, "w" );
   int temp[500];
   int num=0;
@@ -1360,7 +1360,7 @@ void Print_Far_Neighbors_List( reax_system *system, reax_list **lists,
                                output_controls *out_control )
 {
   int   i, j, nbr, natoms;
-  rctagint id_i, id_j;
+  rc_tagint id_i, id_j;
   int num=0;
   int temp[500];
   reax_list *far_nbrs;
@@ -1394,7 +1394,7 @@ void Print_Bond_List( reax_system *system, control_params *control,
                       output_controls *out_control)
 {
   int i,j, nbr, pj;
-  rctagint id_i, id_j;
+  rc_tagint id_i, id_j;
   reax_list *bonds = (*lists) + BONDS;
 
   int temp[500];
diff --git a/src/USER-REAXC/reaxc_nonbonded.cpp b/src/USER-REAXC/reaxc_nonbonded.cpp
index b4ff999364..e38c4e2247 100644
--- a/src/USER-REAXC/reaxc_nonbonded.cpp
+++ b/src/USER-REAXC/reaxc_nonbonded.cpp
@@ -44,7 +44,7 @@ void vdW_Coulomb_Energy( reax_system *system, control_params *control,
 {
   int i, j, pj, natoms;
   int start_i, end_i, flag;
-  rctagint orig_i, orig_j;
+  rc_tagint orig_i, orig_j;
   real p_vdW1, p_vdW1i;
   real powr_vdW1, powgi_vdW1;
   real tmp, r_ij, fn13, exp1, exp2;
@@ -266,7 +266,7 @@ void Tabulated_vdW_Coulomb_Energy( reax_system *system,control_params *control,
   int i, j, pj, r, natoms;
   int type_i, type_j, tmin, tmax;
   int start_i, end_i, flag;
-  rctagint orig_i, orig_j;
+  rc_tagint orig_i, orig_j;
   real r_ij, base, dif;
   real e_vdW, e_ele;
   real CEvd, CEclmb, SMALL = 0.0001;
diff --git a/src/USER-REAXC/reaxc_types.h b/src/USER-REAXC/reaxc_types.h
index 28ba8c540b..4b48584708 100644
--- a/src/USER-REAXC/reaxc_types.h
+++ b/src/USER-REAXC/reaxc_types.h
@@ -67,16 +67,23 @@ typedef real rtensor[3][3];
 typedef real rvec2[2];
 typedef real rvec4[4];
 
+// NOTE: this is needed for REAX/C to repsect LAMMPS
+//       choice of 32-bit vs 64-bit atom IDs
+// cannot just typedef to tagint,
+// or get conflicts when compiling force.cpp
+// better way to do this would be in include lmptype.h,
+// but that requires USER-REAXC to live in LAMMPS_NS
+
 #ifdef LAMMPS_SMALLSMALL
-typedef int rctagint;
+typedef int rc_tagint;
 #endif
 
 #ifdef LAMMPS_SMALLBIG
-typedef int rctagint;
+typedef int rc_tagint;
 #endif
 
 #ifdef LAMMPS_BIGBIG
-typedef int64_t rctagint;
+typedef int64_t rc_tagint;
 #endif
 
 typedef struct {
@@ -86,14 +93,14 @@ typedef struct {
 } restart_header;
 
 typedef struct {
-  rctagint orig_id, type;
+  rc_tagint orig_id, type;
   char name[8];
   rvec x, v;
 } restart_atom;
 
 typedef struct
 {
-  rctagint  orig_id;
+  rc_tagint  orig_id;
   int  imprt_id;
   int  type;
   int  num_bonds;
@@ -109,7 +116,7 @@ typedef struct
 
 typedef struct
 {
-  rctagint  orig_id;
+  rc_tagint  orig_id;
   int  imprt_id;
   int  type;
   int  num_bonds;
@@ -359,7 +366,7 @@ typedef struct
 
 struct _reax_atom
 {
-  rctagint  orig_id;
+  rc_tagint  orig_id;
   int  imprt_id;
   int  type;
   char name[8];