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Searched refs:termxk (Results 1 – 5 of 5) sorted by relevance

/dports/science/tinker/tinker/source/
H A Dechgdpl2.f43 real*8 termxk,termyk,termzk local
169 termxk = term * (xr-dotk*xkrk2)
180 dedxk1 = -sk1*termx + termxk
183 dedxk2 = -sk2*termx - termxk
212 termxk = termxk * taper
423 termxk = term * (xr-dotk*xkrk2)
434 dedxk1 = -sk1*termx + termxk
437 dedxk2 = -sk2*termx - termxk
466 termxk = termxk * taper
876 termxk = termxk * taper
[all …]
H A Dechgdpl1.f48 real*8 termxk,termyk,termzk local
149 termxk = -term * (xr+xk*term3)
155 dedxk1 = -sk1*termx - termxk
158 dedxk2 = -sk2*termx + termxk
302 termxk = -term * (xr+xk*term3)
308 dedxk1 = -sk1*termx - termxk
311 dedxk2 = -sk2*termx + termxk
H A Dedipole1.f50 real*8 termxk,termyk,termzk local
161 termxk = dedrirkrk2*xk + deddotp*xi + deddotk*xr
173 dedxk1 = -sk1*termx - termxk
176 dedxk2 = -sk2*termx + termxk
348 termxk = dedrirkrk2*xk + deddotp*xi + deddotk*xr
360 dedxk1 = -sk1*termx - termxk
363 dedxk2 = -sk2*termx + termxk
H A Dedipole2.f42 real*8 termxk,termyk,termzk local
245 dedxk1 = -sk1*termx - termxk
248 dedxk2 = -sk2*termx + termxk
280 termxk = termxk * taper
303 dtxkdxi1 = dtdxi1*termxk + de*factork
336 dtxkdyi1 = dtdyi1*termxk + de*factork
370 dtxkdzi1 = dtdzi1*termxk + de*factork
406 dtxkdxi2 = dtdxi2*termxk + de*factork
883 dedxk1 = -sk1*termx - termxk
886 dedxk2 = -sk2*termx + termxk
[all …]
/dports/science/tinker/tinker/other/
H A Dhessfull.f1763 real*8 termx,termy,termz,termxk,termyk,termzk local
1854 termxk = term * (xr-dotk*xkrk2)
1865 dtxkdxi1 = dtdxi1*termxk + term*factork
1880 dtxkdyi1 = dtdyi1*termxk + term*factork
1895 dtxkdzi1 = dtdzi1*termxk + term*factork
1912 dtxkdxk1 = dtdxk1*termxk + term*factork
1928 dtxkdyk1 = dtdyk1*termxk + term*factork
1945 dtxkdzk1 = dtdzk1*termxk + term*factork
1963 dtxkdxk2 = dtdxk2*termxk + term*factork
1979 dtxkdyk2 = dtdyk2*termxk + term*factork
[all …]