use global constant for sqrt(pi)

This commit is contained in:
Axel Kohlmeyer
2014-10-13 17:21:48 -04:00
parent ac961d025e
commit c316fb0984

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@ -301,7 +301,7 @@ void PPPMGPU::compute(int eflag, int vflag)
energy = energy_all;
energy *= 0.5*volume;
energy -= g_ewald*qsqsum/1.772453851 +
energy -= g_ewald*qsqsum/MY_PIS +
MY_PI2*qsum*qsum / (g_ewald*g_ewald*volume);
energy *= qscale;
}