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minor changes to NEB doc pages and examples

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This commit is contained in:
Steve Plimpton
2017-06-20 08:19:23 -06:00
parent 326a8a1289
commit d2610d9e7c
17 changed files with 57 additions and 62 deletions
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13
src/irregular.cpp
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@ -23,17 +23,13 @@
using namespace LAMMPS_NS;
#if defined(LMP_USE_LIBC_QSORT)
#if defined(LMP_QSORT)
// allocate space for static class variable
// prototype for non-class function
int *Irregular::proc_recv_copy;
static int compare_standalone(const void *, const void *);
#else
#include "mergesort.h"
// prototype for non-class function
static int compare_standalone(const int, const int, void *);
#endif
@ -433,7 +429,7 @@ int Irregular::create_atom(int n, int *sizes, int *proclist, int sortflag)
for (i = 0; i < nrecv_proc; i++) order[i] = i;
#if defined(LMP_USE_LIBC_QSORT)
#if defined(LMP_QSORT)
proc_recv_copy = proc_recv;
qsort(order,nrecv_proc,sizeof(int),compare_standalone);
#else
@ -464,7 +460,7 @@ int Irregular::create_atom(int n, int *sizes, int *proclist, int sortflag)
return nrecvsize;
}
#if defined(LMP_USE_LIBC_QSORT)
#if defined(LMP_QSORT)
/* ----------------------------------------------------------------------
comparison function invoked by qsort()
@ -705,12 +701,13 @@ int Irregular::create_data(int n, int *proclist, int sortflag)
for (i = 0; i < nrecv_proc; i++) order[i] = i;
#if defined(LMP_USE_LIBC_QSORT)
#if defined(LMP_QSORT)
proc_recv_copy = proc_recv;
qsort(order,nrecv_proc,sizeof(int),compare_standalone);
#else
merge_sort(order,nrecv_proc,(void *)proc_recv,compare_standalone);
#endif
int j;
for (i = 0; i < nrecv_proc; i++) {
j = order[i];