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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2598 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-02-19 17:03:24 +00:00
parent 17411d1369
commit 227a7b67a7
2 changed files with 5 additions and 5 deletions
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8
src/neighbor.cpp
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@ -238,6 +238,7 @@ void Neighbor::init()
cutneighmaxsq = cutneighmax * cutneighmax; cutneighmaxsq = cutneighmax * cutneighmax;
// check other classes that can induce reneighboring in decide() // check other classes that can induce reneighboring in decide()
// don't check if build_once is set
restart_check = 0; restart_check = 0;
if (output->restart_every) restart_check = 1; if (output->restart_every) restart_check = 1;
@ -253,6 +254,7 @@ void Neighbor::init()
must_check = 0; must_check = 0;
if (restart_check || fix_check) must_check = 1; if (restart_check || fix_check) must_check = 1;
if (build_once) must_check = 0;
// set special_flag for 1-2, 1-3, 1-4 neighbors // set special_flag for 1-2, 1-3, 1-4 neighbors
// flag[0] is not used, flag[1] = 1-2, flag[2] = 1-3, flag[3] = 1-4 // flag[0] is not used, flag[1] = 1-2, flag[2] = 1-3, flag[3] = 1-4
@ -968,9 +970,6 @@ void Neighbor::print_lists_of_lists()
int Neighbor::decide() int Neighbor::decide()
{ {
if (build_once) return 0;
if (must_check) { if (must_check) {
int n = update->ntimestep; int n = update->ntimestep;
if (restart_check && n == output->next_restart) return 1; if (restart_check && n == output->next_restart) return 1;
@ -980,8 +979,9 @@ int Neighbor::decide()
ago++; ago++;
if (ago >= delay && ago % every == 0) { if (ago >= delay && ago % every == 0) {
if (build_once) return 0;
if (dist_check == 0) return 1; if (dist_check == 0) return 1;
else return check_distance(); return check_distance();
} else return 0; } else return 0;
} }

2
src/neighbor.h
View File

@ -77,8 +77,8 @@ class Neighbor : protected Pointers {
int maxlocal; // size of atom-based NeighList arrays int maxlocal; // size of atom-based NeighList arrays
int maxbond,maxangle,maxdihedral,maximproper; // size of bond lists int maxbond,maxangle,maxdihedral,maximproper; // size of bond lists
int build_once; // 1 if only build lists once per run
int must_check; // 1 if must check other classes to reneigh int must_check; // 1 if must check other classes to reneigh
int build_once; // 1 if never rebuild
int restart_check; // 1 if restart enabled, 0 if no int restart_check; // 1 if restart enabled, 0 if no
int fix_check; // # of fixes that induce reneigh int fix_check; // # of fixes that induce reneigh
int *fixchecklist; // which fixes to check int *fixchecklist; // which fixes to check