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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13631 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-07-17 15:04:19 +00:00
parent 0a4962be43
commit b35f4e52db
5 changed files with 22 additions and 5 deletions
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7
src/min.cpp
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@ -182,8 +182,11 @@ void Min::init()
void Min::setup() void Min::setup()
{ {
if (comm->me == 0 && screen) fprintf(screen,"Setting up minimization ...\n"); if (comm->me == 0 && screen) {
fprintf(screen,"Setting up %s style minimization ...\n",
update->minimize_style);
fprintf(screen," Unit style: %s\n", update->unit_style);
}
update->setupflag = 1; update->setupflag = 1;
// setup extra global dof due to fixes // setup extra global dof due to fixes

2
src/neigh_list.cpp
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@ -255,7 +255,7 @@ void NeighList::print_attributes()
printf(" %d = copy\n",rq->copy); printf(" %d = copy\n",rq->copy);
printf(" %d = skip\n",rq->skip); printf(" %d = skip\n",rq->skip);
printf(" %d = otherlist\n",rq->otherlist); printf(" %d = otherlist\n",rq->otherlist);
printf(" %p = listskip\n",listskip); printf(" %p = listskip\n",(void *)listskip);
printf("\n"); printf("\n");
} }

4
src/neighbor.cpp
View File

@ -793,12 +793,15 @@ void Neighbor::init()
if (!same || every != old_every || delay != old_delay || if (!same || every != old_every || delay != old_delay ||
old_check != dist_check || old_cutoff != cutneighmax) { old_check != dist_check || old_cutoff != cutneighmax) {
if (me == 0) { if (me == 0) {
const double cutghost = MAX(cutneighmax,comm->cutghostuser);
if (logfile) { if (logfile) {
fprintf(logfile,"Neighbor list info ...\n"); fprintf(logfile,"Neighbor list info ...\n");
fprintf(logfile," %d neighbor list requests\n",nrequest); fprintf(logfile," %d neighbor list requests\n",nrequest);
fprintf(logfile," update every %d steps, delay %d steps, check %s\n", fprintf(logfile," update every %d steps, delay %d steps, check %s\n",
every,delay,dist_check ? "yes" : "no"); every,delay,dist_check ? "yes" : "no");
fprintf(logfile," master list distance cutoff = %g\n",cutneighmax); fprintf(logfile," master list distance cutoff = %g\n",cutneighmax);
fprintf(logfile," ghost atom cutoff = %g\n",cutghost);
} }
if (screen) { if (screen) {
fprintf(screen,"Neighbor list info ...\n"); fprintf(screen,"Neighbor list info ...\n");
@ -806,6 +809,7 @@ void Neighbor::init()
fprintf(screen," update every %d steps, delay %d steps, check %s\n", fprintf(screen," update every %d steps, delay %d steps, check %s\n",
every,delay,dist_check ? "yes" : "no"); every,delay,dist_check ? "yes" : "no");
fprintf(screen," master list distance cutoff = %g\n",cutneighmax); fprintf(screen," master list distance cutoff = %g\n",cutneighmax);
fprintf(screen," ghost atom cutoff = %g\n",cutghost);
} }
} }
} }

7
src/respa.cpp
View File

@ -323,7 +323,12 @@ void Respa::init()
void Respa::setup() void Respa::setup()
{ {
if (comm->me == 0 && screen) fprintf(screen,"Setting up run ...\n"); if (comm->me == 0 && screen) {
fprintf(screen,"Setting up r-RESPA run ...\n");
fprintf(screen," Unit style : %s\n", update->unit_style);
fprintf(screen," Current step : " BIGINT_FORMAT "\n", update->ntimestep);
fprintf(screen," OuterTime step: %g\n", update->dt);
}
update->setupflag = 1; update->setupflag = 1;

7
src/verlet.cpp
View File

@ -87,7 +87,12 @@ void Verlet::init()
void Verlet::setup() void Verlet::setup()
{ {
if (comm->me == 0 && screen) fprintf(screen,"Setting up run ...\n"); if (comm->me == 0 && screen) {
fprintf(screen,"Setting up Verlet run ...\n");
fprintf(screen," Unit style : %s\n", update->unit_style);
fprintf(screen," Current step: " BIGINT_FORMAT "\n", update->ntimestep);
fprintf(screen," Time step : %g\n", update->dt);
}
update->setupflag = 1; update->setupflag = 1;