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fixed forgotten factor of 1/2 in panphasia phase shift (bug introduced in last commit) has no consequences besides tiny global shift

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Oliver Hahn 2020-12-10 02:03:49 +01:00
parent 3ce9198406
commit b6f4036353
1 changed files with 1 additions and 1 deletions
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2
src/plugins/random_panphasia.cc
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@ -512,7 +512,7 @@ public:
g0.kelem(i, j, k) += real_t(3.0) * (y1 * gx * gy * fz + y2 * fx * gy * gz + y3 * gx * fy * gz) + sqrt27 * y4 * gx * gy * gz;
// do final phase shift to account for corner centered coordinates vs. cell centers
auto phase_shift = - M_PI * ( kvec[0] / g0.kny_[0]
auto phase_shift = - 0.5 * M_PI * ( kvec[0] / g0.kny_[0]
+ kvec[1] /g0.kny_[1] + kvec[2] / g0.kny_[2]);
g0.kelem(i, j, k) *= std::exp( ccomplex_t(0,phase_shift) );