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Changing variable name so that it isn't overloaded. 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8478 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
pscrozi 2012-07-05 21:57:29 +00:00
parent 7a388da069
commit eeeb01316d
1 changed files with 5 additions and 5 deletions
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10
src/KSPACE/ewald.cpp
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@ -177,7 +177,7 @@ void Ewald::init()
double q2_over_sqrt = q2 / sqrt(natoms*cutoff*xprd*yprd*zprd_slab);
double spr = 2.0 *q2_over_sqrt * exp(-g_ewald*g_ewald*cutoff*cutoff);
double tpr = estimate_table_accuracy(q2_over_sqrt,spr);
double accuracy = sqrt(lpr*lpr + spr*spr + tpr*tpr);
double estimated_accuracy = sqrt(lpr*lpr + spr*spr + tpr*tpr);
// stats
@ -185,18 +185,18 @@ void Ewald::init()
if (screen) {
fprintf(screen," G vector (1/distance) = %g\n",g_ewald);
fprintf(screen," estimated absolute RMS force accuracy = %g\n",
accuracy);
estimated_accuracy);
fprintf(screen," estimated relative force accuracy = %g\n",
accuracy/two_charge_force);
estimated_accuracy/two_charge_force);
fprintf(screen," KSpace vectors: actual max1d max3d = %d %d %d\n",
kcount,kmax,kmax3d);
}
if (logfile) {
fprintf(logfile," G vector (1/distnace) = %g\n",g_ewald);
fprintf(logfile," estimated absolute RMS force accuracy = %g\n",
accuracy);
estimated_accuracy);
fprintf(logfile," estimated relative force accuracy = %g\n",
accuracy/two_charge_force);
estimated_accuracy/two_charge_force);
fprintf(logfile," KSpace vectors: actual max1d max3d = %d %d %d\n",
kcount,kmax,kmax3d);
}