ATC version 2.0, date: Nov20
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12756 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
@ -38,7 +38,6 @@
|
||||
#include "stdio.h"
|
||||
#include "string.h"
|
||||
#include <sstream>
|
||||
#include <string>
|
||||
|
||||
using namespace LAMMPS_NS;
|
||||
using namespace FixConst;
|
||||
@ -232,7 +231,6 @@ FixATC::FixATC(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg),
|
||||
- \ref man_filter_type
|
||||
- \ref man_equilibrium_start
|
||||
- \ref man_extrinsic_exchange
|
||||
- \ref man_charge_control
|
||||
- \ref man_poisson_solver
|
||||
|
||||
fix_modify commands for output: \n
|
||||
@ -289,7 +287,7 @@ FixATC::FixATC(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg),
|
||||
|
||||
int me = ATC::LammpsInterface::instance()->comm_rank();
|
||||
|
||||
std::string groupName(arg[1]);
|
||||
string groupName(arg[1]);
|
||||
int igroup = group->find(groupName.c_str());
|
||||
int atomCount = group->count(igroup);
|
||||
|
||||
@ -446,16 +444,6 @@ FixATC::FixATC(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg),
|
||||
matParamFile,
|
||||
ATC::SHEAR);
|
||||
}
|
||||
else if (strcmp(arg[3],"electrostatic_equilibrium")==0)
|
||||
{
|
||||
string matParamFile = arg[4];
|
||||
if (me==0) printf("Constructing ATC transfer (electrostatic_equilibrium) with parameter file %s\n",arg[4]);
|
||||
atc_ = new ATC::ATC_CouplingMomentum(groupName,
|
||||
array_atom, this,
|
||||
matParamFile,
|
||||
ATC::ELASTIC,
|
||||
ATC::ELECTROSTATIC_EQUILIBRIUM);
|
||||
}
|
||||
else if (strcmp(arg[3],"species")==0)
|
||||
{
|
||||
string matParamFile = arg[4];
|
||||
@ -679,8 +667,7 @@ int FixATC::unpack_exchange(int nlocal, double * buf)
|
||||
return num;
|
||||
}
|
||||
|
||||
int FixATC::pack_forward_comm(int n, int *list, double *buf,
|
||||
int pbc_flag, int *pbc)
|
||||
int FixATC::pack_forward_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)
|
||||
{
|
||||
int num = atc_->pack_comm(n, list, buf, pbc_flag, pbc);
|
||||
return num;
|
||||
@ -691,6 +678,7 @@ void FixATC::unpack_forward_comm(int n, int first, double *buf)
|
||||
atc_->unpack_comm(n, first, buf);
|
||||
}
|
||||
|
||||
|
||||
/* ----------------------------------------------------------------------
|
||||
pack values in local atom-based arrays for restart file
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
@ -69,7 +69,7 @@ namespace LAMMPS_NS {
|
||||
atom received from another processor. */
|
||||
int unpack_exchange(int, double *);
|
||||
|
||||
/** pack_forward_comm called from comm->forward_comm_fix and
|
||||
/** pack_comm called from comm->forward_comm_fix and
|
||||
packs fix-specific data for a given ghost atom
|
||||
from exchange with another proc */
|
||||
int pack_forward_comm(int , int *, double *, int, int *);
|
||||
|
||||
Reference in New Issue
Block a user