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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8221 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-06-04 14:30:00 +00:00
parent 0f339a9ae7
commit 6105d3ea20
1 changed files with 18 additions and 20 deletions
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38
src/USER-OMP/fix_gravity_omp.cpp
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@ -23,13 +23,17 @@
#include "atom.h" #include "atom.h"
#include "update.h" #include "update.h"
#include "domain.h" #include "domain.h"
#include "input.h"
#include "modify.h"
#include "respa.h" #include "respa.h"
#include "variable.h"
#include "error.h" #include "error.h"
using namespace LAMMPS_NS; using namespace LAMMPS_NS;
using namespace FixConst; using namespace FixConst;
enum{CHUTE,SPHERICAL,GRADIENT,VECTOR}; enum{CHUTE,SPHERICAL,GRADIENT,VECTOR};
enum{CONSTANT,EQUAL};
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
@ -40,26 +44,20 @@ FixGravityOMP::FixGravityOMP(LAMMPS *lmp, int narg, char **arg) :
void FixGravityOMP::post_force(int vflag) void FixGravityOMP::post_force(int vflag)
{ {
// update direction of gravity vector if gradient style // update gravity due to variables
if (style == GRADIENT) { if (varflag != CONSTANT) {
if (domain->dimension == 3) { modify->clearstep_compute();
double phi_current = degree2rad * if (mstyle == EQUAL) magnitude = input->variable->compute_equal(mvar);
(phi + (update->ntimestep - time_origin)*dt*phigrad*360.0); if (vstyle == EQUAL) magnitude = input->variable->compute_equal(vvar);
double theta_current = degree2rad * if (pstyle == EQUAL) magnitude = input->variable->compute_equal(pvar);
(theta + (update->ntimestep - time_origin)*dt*thetagrad*360.0); if (tstyle == EQUAL) magnitude = input->variable->compute_equal(tvar);
xgrav = sin(theta_current) * cos(phi_current); if (xstyle == EQUAL) magnitude = input->variable->compute_equal(xvar);
ygrav = sin(theta_current) * sin(phi_current); if (ystyle == EQUAL) magnitude = input->variable->compute_equal(yvar);
zgrav = cos(theta_current); if (zstyle == EQUAL) magnitude = input->variable->compute_equal(zvar);
} else { modify->addstep_compute(update->ntimestep + 1);
double theta_current = degree2rad *
(theta + (update->ntimestep - time_origin)*dt*thetagrad*360.0); set_acceleration();
xgrav = sin(theta_current);
ygrav = cos(theta_current);
}
xacc = magnitude*xgrav;
yacc = magnitude*ygrav;
zacc = magnitude*zgrav;
} }
const double * const * const x = atom->x; const double * const * const x = atom->x;
@ -73,7 +71,7 @@ void FixGravityOMP::post_force(int vflag)
const double yacc_thr = yacc; const double yacc_thr = yacc;
const double zacc_thr = zacc; const double zacc_thr = zacc;
double massone; double massone;
int i; int i;
eflag = 0; eflag = 0;
double grav = 0.0; double grav = 0.0;