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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6305 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-06-07 15:25:20 +00:00
parent 9f8aa9f5a8
commit d9824c7583
68 changed files with 102 additions and 95 deletions
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19
src/update.cpp
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@ -58,8 +58,13 @@ Update::Update(LAMMPS *lmp) : Pointers(lmp)
minimize_style = NULL;
minimize = NULL;
str = (char *) "verlet";
create_integrate(1,&str,lmp->suffix);
if (lmp->cuda) {
str = (char *) "verlet/cuda";
create_integrate(1,&str,NULL);
} else {
str = (char *) "verlet";
create_integrate(1,&str,NULL);
}
str = (char *) "cg";
create_minimize(1,&str);
@ -82,6 +87,16 @@ Update::~Update()
void Update::init()
{
// if USER-CUDA mode is enabled:
// integrate/minimize style must be CUDA variant
if (whichflag == 1 && lmp->cuda)
if (strstr(integrate_style,"cuda") == NULL)
error->all("USER-CUDA mode requires CUDA variant of run style");
if (whichflag == 2 && lmp->cuda)
if (strstr(minimize_style,"cuda") == NULL)
error->all("USER-CUDA mode requires CUDA variant of min style");
// init the appropriate integrate and/or minimize class
// if neither (e.g. from write_restart) then just return