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Switching to std::sort

This commit is contained in:
jtclemm 2020-06-11 15:42:37 -06:00 committed by GitHub
parent ca424772df
commit e70f23cdcc
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1 changed files with 9 additions and 38 deletions
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47
src/atom.cpp
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@ -16,6 +16,7 @@
#include <climits>
#include <cstdlib>
#include <cstring>
#include <algorithm>
#include "style_atom.h"
#include "atom_vec.h"
#include "atom_vec_ellipsoid.h"
@ -2050,7 +2051,7 @@ void Atom::setup_sort_bins()
void Atom::add_callback(int flag)
{
int ifix, i, j;
int ifix;
// find the fix
// if find NULL ptr:
@ -2062,7 +2063,7 @@ void Atom::add_callback(int flag)
for (ifix = 0; ifix < modify->nfix; ifix++)
if (modify->fix[ifix] == NULL) break;
// insert callback into sorted lists, reallocating if necessary
// add callback to lists and sort, reallocating if necessary
// sorting is required in cases where fixes were replaced as it ensures atom
// data is read/written/transfered in the same order that fixes are called
@ -2071,55 +2072,25 @@ void Atom::add_callback(int flag)
nextra_grow_max += DELTA;
memory->grow(extra_grow,nextra_grow_max,"atom:extra_grow");
}
for(i = 0; i < nextra_grow; i++)
if(ifix < extra_grow[i]) break;
if(i == nextra_grow) {
extra_grow[nextra_grow] = ifix;
} else {
for(j = nextra_grow; j > i; j--)
extra_grow[j] = extra_grow[j-1];
extra_grow[i] = ifix;
}
extra_grow[nextra_grow] = ifix;
nextra_grow++;
std::sort(extra_grow, extra_grow + nextra_grow);
} else if (flag == 1) {
if (nextra_restart == nextra_restart_max) {
nextra_restart_max += DELTA;
memory->grow(extra_restart,nextra_restart_max,"atom:extra_restart");
}
for(i = 0; i < nextra_restart; i++)
if(ifix < extra_restart[i]) break;
if(i == nextra_restart) {
extra_restart[nextra_restart] = ifix;
} else {
for(j = nextra_restart; j > i; j--)
extra_restart[j] = extra_restart[j-1];
extra_restart[i] = ifix;
}
extra_restart[nextra_restart] = ifix;
nextra_restart++;
std::sort(extra_restart, extra_restart + nextra_restart);
} else if (flag == 2) {
if (nextra_border == nextra_border_max) {
nextra_border_max += DELTA;
memory->grow(extra_border,nextra_border_max,"atom:extra_border");
}
for(i = 0; i < nextra_border; i++)
if(ifix < extra_border[i]) break;
if(i == nextra_border) {
extra_border[nextra_border] = ifix;
} else {
for(j = nextra_border; j > i; j--)
extra_border[j] = extra_border[j-1];
extra_border[i] = ifix;
}
extra_border[nextra_border] = ifix;
nextra_border++;
std::sort(extra_border, extra_border + nextra_border);
}
}