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Commit 062a3575 authored by athomps's avatar athomps
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Made small change to how fix_species affects neighbor frequency

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13597 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent dba2abcb
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...@@ -77,7 +77,7 @@ FixReaxCSpecies::FixReaxCSpecies(LAMMPS *lmp, int narg, char **arg) : ...@@ -77,7 +77,7 @@ FixReaxCSpecies::FixReaxCSpecies(LAMMPS *lmp, int narg, char **arg) :
// but may be updated when no averaging is performed. // but may be updated when no averaging is performed.
int rene_flag = 0; int rene_flag = 0;
if (nfreq % neighbor->every != 0 || neighbor->every < nevery * nrepeat) { if (nevery * nrepeat != 1 && (nfreq % neighbor->every != 0 || neighbor->every < nevery * nrepeat)) {
int newneighborevery = nevery * nrepeat; int newneighborevery = nevery * nrepeat;
while (nfreq % newneighborevery != 0 && newneighborevery <= nfreq / 2) while (nfreq % newneighborevery != 0 && newneighborevery <= nfreq / 2)
newneighborevery++; newneighborevery++;
...@@ -89,7 +89,7 @@ FixReaxCSpecies::FixReaxCSpecies(LAMMPS *lmp, int narg, char **arg) : ...@@ -89,7 +89,7 @@ FixReaxCSpecies::FixReaxCSpecies(LAMMPS *lmp, int narg, char **arg) :
rene_flag = 1; rene_flag = 1;
} }
if (neighbor->delay != 0 || neighbor->dist_check != 0) { if (nevery * nrepeat != 1 && (neighbor->delay != 0 || neighbor->dist_check != 0)) {
neighbor->delay = 0; neighbor->delay = 0;
neighbor->dist_check = 0; neighbor->dist_check = 0;
rene_flag = 1; rene_flag = 1;
......
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