Cleaning includes + changing error->all to error->one

src/USER-OMP/reaxc_forces_omp.cpp

@@ -292,7 +292,7 @@ void Validate_ListsOMP( reax_system *system, storage * /*workspace */, reax_list
         char errmsg[256];
         snprintf(errmsg, 256, "step%d-bondchk failed: i=%d end(i)=%d str(i+1)=%d\n",
                   step, i, End_Index(i,bonds), comp );
-        system->error_ptr->all(FLERR,errmsg);
+        system->error_ptr->one(FLERR,errmsg);
       }
     }
   }
@@ -319,7 +319,7 @@ void Validate_ListsOMP( reax_system *system, storage * /*workspace */, reax_list
           char errmsg[256];
           snprintf(errmsg, 256, "step%d-hbondchk failed: H=%d end(H)=%d str(H+1)=%d\n",
                   step, Hindex, End_Index(Hindex,hbonds), comp );
-          system->error_ptr->all(FLERR, errmsg);
+          system->error_ptr->one(FLERR, errmsg);
         }
       }
     }

src/USER-REAXC/reaxc_allocate.cpp

@@ -35,9 +35,7 @@
 #include <omp.h>
 #endif
 
-#include "lammps.h"
 #include "error.h"
-using namespace LAMMPS_NS;
 
 /* allocate space for my_atoms
    important: we cannot know the exact number of atoms that will fall into a

src/USER-REAXC/reaxc_control.cpp

@@ -28,6 +28,8 @@
 #include "reaxc_control.h"
 #include "reaxc_tool_box.h"
 
+#include "error.h"
+
 char Read_Control_File( char *control_file, control_params* control,
                         output_controls *out_control )
 {

src/USER-REAXC/reaxc_ffield.cpp

@@ -29,8 +29,6 @@
 #include "reaxc_ffield.h"
 #include "reaxc_tool_box.h"
 
-#include "lammps.h"
-#include "error.h"
 
 char Read_Force_Field( FILE *fp, reax_interaction *reax,
                        control_params *control )

src/USER-REAXC/reaxc_forces.cpp

@@ -39,6 +39,8 @@
 #include "reaxc_valence_angles.h"
 #include "reaxc_vector.h"
 
+#include "error.h"
+
 
 interaction_function Interaction_Functions[NUM_INTRS];
 
@@ -138,7 +140,7 @@ void Validate_Lists( reax_system *system, storage * /*workspace*/, reax_list **l
         char errmsg[256];
         snprintf(errmsg, 256, "step%d-bondchk failed: i=%d end(i)=%d str(i+1)=%d\n",
                  step, i, End_Index(i,bonds), comp );
-        system->error_ptr->all(FLERR,errmsg);
+        system->error_ptr->one(FLERR,errmsg);
       }
     }
   }

src/USER-REAXC/reaxc_init_md.cpp

@@ -36,6 +36,7 @@
 #include "reaxc_tool_box.h"
 #include "reaxc_vector.h"
 
+#include "error.h"
 
 int Init_System( reax_system *system, control_params *control, char * /*msg*/ )
 {

src/USER-REAXC/reaxc_list.cpp

@@ -28,6 +28,8 @@
 #include "reaxc_list.h"
 #include "reaxc_tool_box.h"
 
+#include "error.h"
+
 /************* allocate list space ******************/
 int Make_List(int n, int num_intrs, int type, reax_list *l )
 {

src/USER-REAXC/reaxc_reset_tools.cpp

@@ -30,6 +30,8 @@
 #include "reaxc_tool_box.h"
 #include "reaxc_vector.h"
 
+#include "error.h"
+
 
 void Reset_Atoms( reax_system* system, control_params *control )
 {

src/USER-REAXC/reaxc_tool_box.cpp

@@ -27,6 +27,8 @@
 #include "pair_reaxc.h"
 #include "reaxc_tool_box.h"
 
+#include "error.h"
+
 struct timeval tim;
 double t_end;
 

src/USER-REAXC/reaxc_traj.cpp

@@ -29,6 +29,8 @@
 #include "reaxc_list.h"
 #include "reaxc_tool_box.h"
 
+#include "error.h"
+
 int Reallocate_Output_Buffer( LAMMPS_NS::Error *error_ptr, output_controls *out_control, int req_space )
 {
   if (out_control->buffer_len > 0)

src/USER-REAXC/reaxc_types.h

@@ -39,9 +39,8 @@
 #include <sys/time.h>
 #include "accelerator_kokkos.h"
 
-#include "lammps.h"
-#include "error.h"
-using LAMMPS_NS::Error;
+
+namespace LAMMPS_NS { class Error;}
 
 #if defined LMP_USER_OMP
 #define OMP_TIMING 0
@@ -415,7 +414,7 @@ struct _reax_system
   boundary_cutoff  bndry_cuts;
   reax_atom       *my_atoms;
 
-  class Error     *error_ptr;
+  class LAMMPS_NS::Error    *error_ptr;
   class Pair *pair_ptr;
   int my_bonds;
   int mincap;
@@ -493,7 +492,8 @@ typedef struct
 
   int lgflag;
   int enobondsflag;
-  class Error     *error_ptr;
+  class LAMMPS_NS::Error *error_ptr;
+  int me; 
 
 } control_params;
 
@@ -780,7 +780,7 @@ struct _reax_list
 
   int type;
   list_type select;
-  class Error     *error_ptr;
+  class LAMMPS_NS::Error     *error_ptr;
 };
 typedef _reax_list  reax_list;
 

src/USER-REAXC/reaxc_valence_angles.cpp

@@ -30,6 +30,8 @@
 #include "reaxc_list.h"
 #include "reaxc_vector.h"
 
+#include "error.h"
+
 static double Dot( double* v1, double* v2, int k )
 {
   double ret = 0.0;