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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7867 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-02-29 21:37:35 +00:00
parent 65aa4f9de4
commit 551026717f
3 changed files with 126 additions and 42 deletions
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10
src/KSPACE/pppm.cpp
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@ -1095,8 +1095,9 @@ void PPPM::set_grid()
fprintf(screen," G vector (1/distance)= %g\n",g_ewald);
fprintf(screen," grid = %d %d %d\n",nx_pppm,ny_pppm,nz_pppm);
fprintf(screen," stencil order = %d\n",order);
fprintf(screen," absolute RMS force accuracy = %g\n",MAX(lpr,spr));
fprintf(screen," relative force accuracy = %g\n",
fprintf(screen," estimated absolute RMS force accuracy = %g\n",
MAX(lpr,spr));
fprintf(screen," estimated relative force accuracy = %g\n",
MAX(lpr,spr)/two_charge_force);
fprintf(screen," using %s precision FFTs\n",fft_prec);
}
@ -1104,8 +1105,9 @@ void PPPM::set_grid()
fprintf(logfile," G vector (1/distance) = %g\n",g_ewald);
fprintf(logfile," grid = %d %d %d\n",nx_pppm,ny_pppm,nz_pppm);
fprintf(logfile," stencil order = %d\n",order);
fprintf(logfile," absolute RMS force accuracy = %g\n",MAX(lpr,spr));
fprintf(logfile," relative force accuracy = %g\n",
fprintf(logfile," estimated absolute RMS force accuracy = %g\n",
MAX(lpr,spr));
fprintf(logfile," estimated relative force accuracy = %g\n",
MAX(lpr,spr)/two_charge_force);
fprintf(logfile," using %s precision FFTs\n",fft_prec);
}