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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2545 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-01-29 15:10:38 +00:00
parent 1a510caccb
commit 2403120afb
1 changed files with 14 additions and 12 deletions
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26
src/KSPACE/pppm.cpp
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@ -733,18 +733,20 @@ void PPPM::allocate()
memory->create_3d_double_array(nzlo_out,nzhi_out,nylo_out,nyhi_out, memory->create_3d_double_array(nzlo_out,nzhi_out,nylo_out,nyhi_out,
nxlo_out,nxhi_out,"pppm:vdz_brick"); nxlo_out,nxhi_out,"pppm:vdz_brick");
density_fft = new double[nfft_both]; density_fft =
greensfn = new double[nfft_both]; (double *) memory->smalloc(nfft_both*sizeof(double),"pppm:density_fft");
work1 = new double[2*nfft_both]; greensfn =
work2 = new double[2*nfft_both]; (double *) memory->smalloc(nfft_both*sizeof(double),"pppm:greensfn");
work1 = (double *) memory->smalloc(2*nfft_both*sizeof(double),"pppm:work1");
work2 = (double *) memory->smalloc(2*nfft_both*sizeof(double),"pppm:work2");
vg = memory->create_2d_double_array(nfft_both,6,"pppm:vg"); vg = memory->create_2d_double_array(nfft_both,6,"pppm:vg");
fkx = memory->create_1d_double_array(nxlo_fft,nxhi_fft,"pppm:fkx"); fkx = memory->create_1d_double_array(nxlo_fft,nxhi_fft,"pppm:fkx");
fky = memory->create_1d_double_array(nylo_fft,nyhi_fft,"pppm:fky"); fky = memory->create_1d_double_array(nylo_fft,nyhi_fft,"pppm:fky");
fkz = memory->create_1d_double_array(nzlo_fft,nzhi_fft,"pppm:fkz"); fkz = memory->create_1d_double_array(nzlo_fft,nzhi_fft,"pppm:fkz");
buf1 = new double[nbuf]; buf1 = (double *) memory->smalloc(nbuf*sizeof(double),"pppm:buf1");
buf2 = new double[nbuf]; buf2 = (double *) memory->smalloc(nbuf*sizeof(double),"pppm:buf2");
// summation coeffs // summation coeffs
@ -787,18 +789,18 @@ void PPPM::deallocate()
memory->destroy_3d_double_array(vdy_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->destroy_3d_double_array(vdz_brick,nzlo_out,nylo_out,nxlo_out);
delete [] density_fft; memory->sfree(density_fft);
delete [] greensfn; memory->sfree(greensfn);
delete [] work1; memory->sfree(work1);
delete [] work2; memory->sfree(work2);
memory->destroy_2d_double_array(vg); memory->destroy_2d_double_array(vg);
memory->destroy_1d_double_array(fkx,nxlo_fft); memory->destroy_1d_double_array(fkx,nxlo_fft);
memory->destroy_1d_double_array(fky,nylo_fft); memory->destroy_1d_double_array(fky,nylo_fft);
memory->destroy_1d_double_array(fkz,nzlo_fft); memory->destroy_1d_double_array(fkz,nzlo_fft);
delete [] buf1; memory->sfree(buf1);
delete [] buf2; memory->sfree(buf2);
delete [] gf_b; delete [] gf_b;
memory->destroy_2d_double_array(rho1d,-order/2); memory->destroy_2d_double_array(rho1d,-order/2);