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Lines for some test

This commit is contained in:
Atsushi Togo 2018-07-05 17:06:29 +09:00
parent 8f4f51de2d
commit 6e989ceaeb
1 changed files with 15 additions and 1 deletions
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16
c/harmonic/dynmat.c
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@ -192,7 +192,7 @@ void dym_get_dipole_dipole(double *dd, /* [natom, 3, natom, 3, (real,imag)] */
}
/* This may not be necessary. */
make_Hermitian(dd, num_patom * 3);
/* make_Hermitian(dd, num_patom * 3); */
free(dd_tmp);
dd_tmp = NULL;
@ -256,6 +256,20 @@ void dym_get_dipole_dipole_q0(double *dd_q0, /* [natom, 3, 3, (real,imag)] */
}
}
/* Summation over another atomic index */
/* for (j = 0; j < num_patom; j++) { */
/* for (k = 0; k < 3; k++) { /\* alpha *\/ */
/* for (l = 0; l < 3; l++) { /\* beta *\/ */
/* adrs = j * 9 + k * 3 + l; */
/* for (i = 0; i < num_patom; i++) { */
/* adrs_tmp = i * num_patom * 9 + k * num_patom * 3 + j * 3 + l ; */
/* dd_q0[adrs * 2] += dd_tmp2[adrs_tmp * 2]; */
/* dd_q0[adrs * 2 + 1] += dd_tmp2[adrs_tmp * 2 + 1]; */
/* } */
/* } */
/* } */
/* } */
for (i = 0; i < num_patom; i++) {
for (k = 0; k < 3; k++) { /* alpha */
for (l = 0; l < 3; l++) { /* beta */