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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5833 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-03-25 19:40:12 +00:00
parent 1511c8b10b
commit 50b8413fe7
19 changed files with 118 additions and 388 deletions
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40
src/KSPACE/pppm.cpp
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@ -730,18 +730,14 @@ void PPPM::compute(int eflag, int vflag)
void PPPM::allocate()
{
density_brick =
memory->create_3d_double_array(nzlo_out,nzhi_out,nylo_out,nyhi_out,
nxlo_out,nxhi_out,"pppm:density_brick");
vdx_brick =
memory->create_3d_double_array(nzlo_out,nzhi_out,nylo_out,nyhi_out,
nxlo_out,nxhi_out,"pppm:vdx_brick");
vdy_brick =
memory->create_3d_double_array(nzlo_out,nzhi_out,nylo_out,nyhi_out,
nxlo_out,nxhi_out,"pppm:vdy_brick");
vdz_brick =
memory->create_3d_double_array(nzlo_out,nzhi_out,nylo_out,nyhi_out,
nxlo_out,nxhi_out,"pppm:vdz_brick");
memory->create3d_offset(density_brick,nzlo_out,nzhi_out,nylo_out,nyhi_out,
nxlo_out,nxhi_out,"pppm:density_brick");
memory->create3d_offset(vdx_brick,nzlo_out,nzhi_out,nylo_out,nyhi_out,
nxlo_out,nxhi_out,"pppm:vdx_brick");
memory->create3d_offset(vdy_brick,nzlo_out,nzhi_out,nylo_out,nyhi_out,
nxlo_out,nxhi_out,"pppm:vdy_brick");
memory->create3d_offset(vdz_brick,nzlo_out,nzhi_out,nylo_out,nyhi_out,
nxlo_out,nxhi_out,"pppm:vdz_brick");
density_fft =
(double *) memory->smalloc(nfft_both*sizeof(double),"pppm:density_fft");
@ -751,9 +747,9 @@ void PPPM::allocate()
work2 = (double *) memory->smalloc(2*nfft_both*sizeof(double),"pppm:work2");
vg = memory->create_2d_double_array(nfft_both,6,"pppm:vg");
fkx = memory->create_1d_double_array(nxlo_fft,nxhi_fft,"pppm:fkx");
fky = memory->create_1d_double_array(nylo_fft,nyhi_fft,"pppm:fky");
fkz = memory->create_1d_double_array(nzlo_fft,nzhi_fft,"pppm:fkz");
memory->create1d_offset(fkx,nxlo_fft,nxhi_fft,"pppm:fkx");
memory->create1d_offset(fky,nylo_fft,nyhi_fft,"pppm:fky");
memory->create1d_offset(fkz,nzlo_fft,nzhi_fft,"pppm:fkz");
buf1 = (double *) memory->smalloc(nbuf*sizeof(double),"pppm:buf1");
buf2 = (double *) memory->smalloc(nbuf*sizeof(double),"pppm:buf2");
@ -794,10 +790,10 @@ void PPPM::allocate()
void PPPM::deallocate()
{
memory->destroy_3d_double_array(density_brick,nzlo_out,nylo_out,nxlo_out);
memory->destroy_3d_double_array(vdx_brick,nzlo_out,nylo_out,nxlo_out);
memory->destroy_3d_double_array(vdy_brick,nzlo_out,nylo_out,nxlo_out);
memory->destroy_3d_double_array(vdz_brick,nzlo_out,nylo_out,nxlo_out);
memory->destroy3d_offset(density_brick,nzlo_out,nylo_out,nxlo_out);
memory->destroy3d_offset(vdx_brick,nzlo_out,nylo_out,nxlo_out);
memory->destroy3d_offset(vdy_brick,nzlo_out,nylo_out,nxlo_out);
memory->destroy3d_offset(vdz_brick,nzlo_out,nylo_out,nxlo_out);
memory->sfree(density_fft);
memory->sfree(greensfn);
@ -805,9 +801,9 @@ void PPPM::deallocate()
memory->sfree(work2);
memory->destroy_2d_double_array(vg);
memory->destroy_1d_double_array(fkx,nxlo_fft);
memory->destroy_1d_double_array(fky,nylo_fft);
memory->destroy_1d_double_array(fkz,nzlo_fft);
memory->destroy1d_offset(fkx,nxlo_fft);
memory->destroy1d_offset(fky,nylo_fft);
memory->destroy1d_offset(fkz,nzlo_fft);
memory->sfree(buf1);
memory->sfree(buf2);