Searched refs:dedxk1 (Results 1 – 4 of 4) sorted by relevance
/dports/science/tinker/tinker/source/ |
H A D | echgdpl1.f | 50 real*8 dedxk1,dedyk1,dedzk1 local 155 dedxk1 = -sk1*termx - termxk 181 dedxk1 = dedxk1*taper + sk1*dtaperx 210 vxx = xr1*dedxk1 + xr2*dedxk2 211 vyx = yr1*dedxk1 + yr2*dedxk2 212 vzx = zr1*dedxk1 + zr2*dedxk2 308 dedxk1 = -sk1*termx - termxk 334 dedxk1 = dedxk1*taper + sk1*dtaperx 364 vxx = xr1*dedxk1 + xr2*dedxk2 365 vyx = yr1*dedxk1 + yr2*dedxk2 [all …]
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H A D | edipole1.f | 53 real*8 dedxk1,dedyk1,dedzk1 local 173 dedxk1 = -sk1*termx - termxk 202 dedxk1 = dedxk1*taper - sk1*dtaperx 219 ded(1,k1) = ded(1,k1) + dedxk1 234 vxx = xq1*dedxk1 + xq2*dedxk2 235 vyx = 0.5d0 * (yq1*dedxk1 + yq2*dedxk2 237 vzx = 0.5d0 * (zq1*dedxk1 + zq2*dedxk2 360 dedxk1 = -sk1*termx - termxk 389 dedxk1 = dedxk1*taper - sk1*dtaperx 408 ded(1,k1) = ded(1,k1) + dedxk1 [all …]
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H A D | echgdpl2.f | 49 real*8 dedxk1,dedyk1,dedzk1 local 180 dedxk1 = -sk1*termx + termxk 301 hessx(1,k1) = hessx(1,k1) + dtaperx*dedxk1 319 hessy(1,k1) = hessy(1,k1) + dtapery*dedxk1 337 hessz(1,k1) = hessz(1,k1) + dtaperz*dedxk1 434 dedxk1 = -sk1*termx + termxk 643 & + dtaperx*dedxk1 - sk1*d2taperxx 645 & + dtapery*dedxk1 - sk1*d2taperxy 647 & + dtaperz*dedxk1 - sk1*d2taperxz 844 dedxk1 = -sk1*termx + termxk [all …]
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H A D | edipole2.f | 64 real*8 dedxk1,dedyk1,dedzk1 local 245 dedxk1 = -sk1*termx - termxk 590 & + si1*dtaperx*dedxk1 - sk1*si1*d2taperxx 614 & + si1*dtapery*dedxk1 - sk1*si1*d2taperxy 638 & + si1*dtaperz*dedxk1 - sk1*si1*d2taperxz 663 & + si2*dtaperx*dedxk1 - sk1*si2*d2taperxx 687 & + si2*dtapery*dedxk1 - sk1*si2*d2taperxy 711 & + si2*dtaperz*dedxk1 - sk1*si2*d2taperxz 883 dedxk1 = -sk1*termx - termxk 1228 & + si1*dtaperx*dedxk1 - sk1*si1*d2taperxx [all …]
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