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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9764 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-04-08 23:38:00 +00:00
parent 5563cb6124
commit b6df7c873b
14 changed files with 72 additions and 3 deletions
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10
src/USER-MISC/angle_fourier.cpp
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@ -239,6 +239,16 @@ void AngleFourier::read_restart(FILE *fp)
for (int i = 1; i <= atom->nangletypes; i++) setflag[i] = 1;
}
/* ----------------------------------------------------------------------
proc 0 writes to data file
------------------------------------------------------------------------- */
void AngleFourier::write_data(FILE *fp)
{
for (int i = 1; i <= atom->nangletypes; i++)
fprintf(fp,"%d %g %g %g %g\n",i,k[i],C0[i],C1[i],C2[i]);
}
/* ---------------------------------------------------------------------- */
double AngleFourier::single(int type, int i1, int i2, int i3)