Searched refs:a_iso (Results 1 – 2 of 2) sorted by relevance
/dports/science/qbox/qbox-public-rel1_73_3/src/ |
H A D | ResponseCmd.cpp | 296 double a_iso = (ddx.x+ddy.y+ddz.z)/3.0; in responseEfield() local 297 cout << " <a_iso> " << setw(10) << a_iso << " </a_iso>" << endl; in responseEfield() 298 double beta[9] = { ddx.x-a_iso, ddx.y, ddx.z, in responseEfield() 299 ddy.x, ddy.y-a_iso, ddy.z, in responseEfield() 300 ddz.x, ddz.y, ddz.z-a_iso }; in responseEfield()
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/dports/science/checkmol/checkmol-0.5_11/ |
H A D | checkmol | 3706 a_chg, a_iso, a_rad : integer; 3808 a_iso := atom^[i].nucleon_number; 3809 if a_iso <> 0 then 3815 str(a_iso:1,tmpstr); lblank(3,tmpstr); wline := wline + tmpstr;
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