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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-06-17 23:48:15 +00:00
parent b161fbb52a
commit d55f968432
112 changed files with 1525 additions and 1350 deletions
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10
src/fix.cpp
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@ -16,6 +16,7 @@
#include "fix.h"
#include "atom.h"
#include "group.h"
#include "force.h"
#include "atom_masks.h"
#include "memory.h"
#include "error.h"
@ -68,6 +69,8 @@ Fix::Fix(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
dof_flag = 0;
special_alter_flag = 0;
enforce2d_flag = 0;
respa_level_support = 0;
respa_level = -1;
scalar_flag = vector_flag = array_flag = 0;
peratom_flag = local_flag = 0;
@ -130,6 +133,13 @@ void Fix::modify_params(int narg, char **arg)
else if (strcmp(arg[iarg+1],"yes") == 0) thermo_energy = 1;
else error->all(FLERR,"Illegal fix_modify command");
iarg += 2;
} else if (strcmp(arg[iarg],"respa") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix_modify command");
if (!respa_level_support) error->all(FLERR,"Illegal fix_modify command");
int lvl = force->inumeric(FLERR,arg[1]);
if (lvl < 0) error->all(FLERR,"Illegal fix_modify command");
respa_level = lvl-1;
iarg += 2;
} else {
int n = modify_param(narg-iarg,&arg[iarg]);
if (n == 0) error->all(FLERR,"Illegal fix_modify command");