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Follow the change of tensor3_rotation in fc3.c after the tag v0.9.0. This may induce bug.

This commit is contained in:
Atsushi Togo 2014-09-03 19:11:17 +09:00
parent 69b119fba7
commit 44e474808e
1 changed files with 8 additions and 11 deletions
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19
c/anharmonic/phonon4/fc4.c
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@ -59,17 +59,14 @@ int rotate_delta_fc3s_elem(double *rotated_delta_fc3s,
for (i = 0; i < num_delta_fc3s; i++) { for (i = 0; i < num_delta_fc3s; i++) {
for (j = 0; j < num_rot; j++) { for (j = 0; j < num_rot; j++) {
rot_tensor = rotated_delta_fc3s + i * num_rot * 27 + j * 27; rot_tensor = rotated_delta_fc3s + i * num_rot * 27 + j * 27;
tensor3_roation(rot_tensor, tensor3_rotation(rot_tensor,
delta_fc3s + delta_fc3s +
i * num_atom * num_atom * num_atom * 27, i * num_atom * num_atom * num_atom * 27 +
atom1, 27 * num_atom * num_atom *
atom2, rot_map_syms[num_atom * j + atom1] +
atom3, 27 * num_atom * rot_map_syms[num_atom * j + atom2] +
rot_map_syms[num_atom * j + atom1], 27 * rot_map_syms[num_atom * j + atom3],
rot_map_syms[num_atom * j + atom2], site_sym_cart + j * 9);
rot_map_syms[num_atom * j + atom3],
num_atom,
site_sym_cart + j * 9);
} }
} }
return 0; return 0;