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more classes use Grid3d

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This commit is contained in:
Steve Plimpton
2022-11-01 15:53:39 -06:00
parent 335bacebb7
commit 4c29457351
14 changed files with 440 additions and 393 deletions
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8
src/fix_ave_grid.cpp
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@ -411,10 +411,10 @@ FixAveGrid::FixAveGrid(LAMMPS *lmp, int narg, char **arg) :
ngridout = (nxhi_out - nxlo_out + 1) * (nyhi_out - nylo_out + 1);
} else {
grid3d = new Grid3d(lmp, world, nxgrid, nygrid, nzgrid, maxdist, 0, 0.5,
nxlo_in, nxhi_in, nylo_in, nyhi_in, nzlo_in, nzhi_in,
nxlo_out, nxhi_out, nylo_out, nyhi_out,
nzlo_out, nzhi_out);
grid3d = new Grid3d(lmp, world, nxgrid, nygrid, nzgrid);
grid3d->set_distance(maxdist);
grid3d->setup_grid(nxlo_in, nxhi_in, nylo_in, nyhi_in, nzlo_in, nzhi_in,
nxlo_out, nxhi_out, nylo_out, nyhi_out, nzlo_out, nzhi_out);
// ngrid_buf12 converted to nvalues + count