Home
last modified time | relevance | path

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

/dports/science/tinker/tinker/source/
H A Dechgdpl2.f43 real*8 termxk,termyk,termzk local
171 termzk = term * (zr-dotk*zkrk2)
182 dedzk1 = -sk1*termz + termzk
185 dedzk2 = -sk2*termz - termzk
214 termzk = termzk * taper
425 termzk = term * (zr-dotk*zkrk2)
436 dedzk1 = -sk1*termz + termzk
439 dedzk2 = -sk2*termz - termzk
468 termzk = termzk * taper
878 termzk = termzk * taper
[all …]
H A Dechgdpl1.f48 real*8 termxk,termyk,termzk local
151 termzk = -term * (zr+zk*term3)
157 dedzk1 = -sk1*termz - termzk
160 dedzk2 = -sk2*termz + termzk
304 termzk = -term * (zr+zk*term3)
310 dedzk1 = -sk1*termz - termzk
313 dedzk2 = -sk2*termz + termzk
H A Dedipole1.f50 real*8 termxk,termyk,termzk local
163 termzk = dedrirkrk2*zk + deddotp*zi + deddotk*zr
175 dedzk1 = -sk1*termz - termzk
178 dedzk2 = -sk2*termz + termzk
350 termzk = dedrirkrk2*zk + deddotp*zi + deddotk*zr
362 dedzk1 = -sk1*termz - termzk
365 dedzk2 = -sk2*termz + termzk
H A Dedipole2.f42 real*8 termxk,termyk,termzk local
247 dedzk1 = -sk1*termz - termzk
250 dedzk2 = -sk2*termz + termzk
282 termzk = termzk * taper
321 dtzkdxi1 = dtdxi1*termzk + de*factork
355 dtzkdyi1 = dtdyi1*termzk + de*factork
389 dtzkdzi1 = dtdzi1*termzk + de*factork
424 dtzkdxi2 = dtdxi2*termzk + de*factork
885 dedzk1 = -sk1*termz - termzk
888 dedzk2 = -sk2*termz + termzk
[all …]
/dports/science/tinker/tinker/other/
H A Dhessfull.f1763 real*8 termx,termy,termz,termxk,termyk,termzk local
1856 termzk = term * (zr-dotk*zkrk2)
1873 dtzkdxi1 = dtdxi1*termzk + term*factork
1888 dtzkdyi1 = dtdyi1*termzk + term*factork
1903 dtzkdzi1 = dtdzi1*termzk + term*factork
1920 dtzkdxk1 = dtdxk1*termzk + term*factork
1937 dtzkdyk1 = dtdyk1*termzk + term*factork
1954 dtzkdzk1 = dtdzk1*termzk + term*factork
1971 dtzkdxk2 = dtdxk2*termzk + term*factork
1988 dtzkdyk2 = dtdyk2*termzk + term*factork
[all …]