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/dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxpreprocess/
H A Dcalch.cpp96 #define alfaH (acos(-1 / 3.0)) /* 109.47 degrees */ in calc_h_pos() macro
181 xH1[d] = xAI[d] + distH * sin(alfaH) * sb[d] - distH * cos(alfaH) * sij[d]; in calc_h_pos()
194 xH1[d] = xAI[d] + distH * sin(alfaH) * sb[d] - distH * cos(alfaH) * sij[d]; in calc_h_pos()
195 xH2[d] = (xAI[d] - distH * sin(alfaH) * 0.5 * sb[d] in calc_h_pos()
196 + distH * sin(alfaH) * s6 * sa[d] - distH * cos(alfaH) * sij[d]); in calc_h_pos()
199 xH3[d] = (xAI[d] - distH * sin(alfaH) * 0.5 * sb[d] in calc_h_pos()
200 - distH * sin(alfaH) * s6 * sa[d] - distH * cos(alfaH) * sij[d]); in calc_h_pos()
239 … xH1[d] = xAI[d] + distH * (cos(alfaH / 2.0) * rBB[d] / bb + sin(alfaH / 2.0) * rNN[d] / nn); in calc_h_pos()
240 … xH2[d] = xAI[d] + distH * (cos(alfaH / 2.0) * rBB[d] / bb - sin(alfaH / 2.0) * rNN[d] / nn); in calc_h_pos()