ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

use inline insertion sort for short array

Browse Source
This commit is contained in:
Axel Kohlmeyer
2022-10-22 08:10:00 -04:00
parent d038b049c9
commit 43e3dc7a9e
1 changed files with 10 additions and 1 deletions
Download Patch File Download Diff File Expand all files Collapse all files

11
src/REACTION/fix_bond_react.cpp
View File

@ -1735,7 +1735,16 @@ void FixBondReact::inner_crosscheck_loop()
// ...actually, avail_guesses should never be zero here anyway
if (guess_branch[avail_guesses-1] == 0) guess_branch[avail_guesses-1] = num_choices;
std::sort(tag_choices, tag_choices + num_choices);
for (int i=1; i < num_choices; ++i) {
tagint hold = tag_choices[i];
int j = i - 1;
while ((j >=0) && (tag_choices[j] > hold)) {
tag_choices[j+1] = tag_choices[j];
--j;
}
tag_choices[j+1] = hold;
}
for (int i = guess_branch[avail_guesses-1]-1; i >= 0; i--) {
int already_assigned = 0;
for (int j = 0; j < onemol->natoms; j++) {