List the guidelines to be followed in Shrinking of Cotton and linen.

Lammps ERROR on proc 0: Out of range atoms - cannot compute PPPM

Alexeev081 [22]

Using the knowledge in computational language in C++ it is possible to write a code that Out of range atoms:

<h3>Writting the code in C++:</h3>

#include <cmath>

#include "pppm_tip4p.h"

#include "atom.h"

#include "domain.h"

#include "force.h"

#include "memory.h"

#include "error.h"

#include "math_const.h"

using namespace LAMMPS_NS;

using namespace MathConst;

#define OFFSET 16384

#ifdef FFT_SINGLE

#define ZEROF 0.0f

#define ONEF 1.0f

#else

#define ZEROF 0.0

#define ONEF 1.0

#endif

void PPPMTIP4P::init()

{

// TIP4P PPPM requires newton on, b/c it computes forces on ghost atoms

if (force->newton == 0)

error->all(FLERR,"Kspace style pppm/tip4p requires newton on");

PPPM::init();

}

void PPPMTIP4P::particle_map()

{

int nx,ny,nz,iH1,iH2;

double *xi,xM[3];

int *type = atom->type;

double **x = atom->x;

int nlocal = atom->nlocal;

if (!std::isfinite(boxlo[0]) || !std::isfinite(boxlo[1]) || !std::isfinite(boxlo[2]))

error->one(FLERR,"Non-numeric box dimensions - simulation unstable");

int flag = 0;

for (int i = 0; i < nlocal; i++) {

if (type[i] == typeO) {

find_M(i,iH1,iH2,xM);

xi = xM;

} else xi = x[i];

nx = static_cast<int> ((xi[0]-boxlo[0])*delxinv+shift) - OFFSET;

ny = static_cast<int> ((xi[1]-boxlo[1])*delyinv+shift) - OFFSET;

nz = static_cast<int> ((xi[2]-boxlo[2])*delzinv+shift) - OFFSET;

part2grid[i][0] = nx;

part2grid[i][1] = ny;

part2grid[i][2] = nz;

if (nx+nlower < nxlo_out || nx+nupper > nxhi_out ||

ny+nlower < nylo_out || ny+nupper > nyhi_out ||

nz+nlower < nzlo_out || nz+nupper > nzhi_out) flag++;

}

int flag_all;

MPI_Allreduce(&flag,&flag_all,1,MPI_INT,MPI_SUM,world);

if (flag_all) error->all(FLERR,"Out of range atoms - cannot compute PPPM");

}

void PPPMTIP4P::make_rho()

{

int i,l,m,n,nx,ny,nz,mx,my,mz,iH1,iH2;

FFT_SCALAR dx,dy,dz,x0,y0,z0;

double *xi,xM[3];

FFT_SCALAR *vec = &density_brick[nzlo_out][nylo_out][nxlo_out];

for (i = 0; i < ngrid; i++) vec[i] = ZEROF;

int *type = atom->type;

double *q = atom->q;

double **x = atom->x;

int nlocal = atom->nlocal;

for (int i = 0; i < nlocal; i++) {

if (type[i] == typeO) {

find_M(i,iH1,iH2,xM);

xi = xM;

} else xi = x[i];

nx = part2grid[i][0];

ny = part2grid[i][1];

nz = part2grid[i][2];

dx = nx+shiftone - (xi[0]-boxlo[0])*delxinv;

dy = ny+shiftone - (xi[1]-boxlo[1])*delyinv;

dz = nz+shiftone - (xi[2]-boxlo[2])*delzinv;

compute_rho1d(dx,dy,dz);

z0 = delvolinv * q[i];

for (n = nlower; n <= nupper; n++) {

mz = n+nz;

y0 = z0*rho1d[2][n];

for (m = nlower; m <= nupper; m++) {

my = m+ny;

x0 = y0*rho1d[1][m];

for (l = nlower; l <= nupper; l++) {

mx = l+nx;

density_brick[mz][my][mx] += x0*rho1d[0][l];

}

}

See more about C++ at brainly.com/question/19705654

#SPJ1

6 0

2 years ago

Suppose that shoe sizes of American women have a bell-shaped distribution with a mean of 8.04 and a standard deviation of 1.52.

Pani-rosa [81]

Answer:

0.15 % of American women have a shoe size greater than 12.6

Explanation:

*See the attached photo.

7 0

3 years ago

Según el 1 of 1, la función (show) comienza a las 8 de la noche.

DaniilM [7]

According to the context of the sentence, for it to be complete and make sense we must add the missing word as it follows:

Según el cártel, la función comienza a las 8 de la noche.

Translation: According to the poster, the show begins at 8 at night.

A poster refers to a sheet that presents some type of information that is intended to be disseminated.

It captures the attention of the viewer, forcing him to perceive the message, his function to announce an event and disseminate information.

In the sentence, the ''cártel'' complies with informing the spectators of the start time of the show.

Therefore, we can conclude that the correct missing word in the sentence is cártel (post), which is planned to give certain information about the show.

Learn more about Spanish here: brainly.com/app/profile/16429823

5 0

3 years ago

What protection can diver's suit gear provide? what deep ocean problem can the suit not solve

____ [38]

Answer:

It keeps the body warm, protects it from physical hazards, and even increases the body’s buoyancy. One issue a diver's suit can not solve is water pressure

Explanation:

3 0

2 years ago

Charlie likes to go to a local amusement park with friends a couple of times per year, but worries that he may

Anvisha [2.4K]

C. because if he only has $150 with him he can't spend more than $150 dollars.

6 0

3 years ago

List the guidelines to be followed in Shrinking of Cotton and linen.​

List the guidelines to be followed in Shrinking of Cotton and linen.