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Fix ewald32_sigma0() 

Former-commit-id: 969764c516c0e0e8cc928e18447eb5327791d5bc
This commit is contained in:
Marek Nečada 2018-09-06 11:52:54 +03:00
parent adc731029e
commit 1cd4733e85
1 changed files with 1 additions and 1 deletions
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2
qpms/ewald.c
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@ -139,7 +139,7 @@ int ewald32_sigma0(complex double *result, double *err,
const double eta, const double k) const double eta, const double k)
{ {
qpms_csf_result gam; qpms_csf_result gam;
int retval = complex_gamma_inc_e(-0.5, -k/sq(2*eta), &gam); int retval = complex_gamma_inc_e(-0.5, -sq(k/(2*eta)), &gam);
if (0 != retval) if (0 != retval)
abort(); abort();
*result = gam.val * c->legendre0[gsl_sf_legendre_array_index(0,0)] / 2 / M_SQRTPI; *result = gam.val * c->legendre0[gsl_sf_legendre_array_index(0,0)] / 2 / M_SQRTPI;