| /dports/science/tinker/tinker/source/ |
| H A D | estrtor1.f | 65 real*8 dedxid,dedyid,dedzid local
238 dedzid = ycb*dedxu - xcb*dedyu
290 dedzid = dedzid + ycb*dedxu - xcb*dedyu
343 dedzid = dedzid + ycb*dedxu - xcb*dedyu + ddrdz
360 debt(3,id) = debt(3,id) + dedzid
369 vzz = zcb*(dedzic+dedzid) - zba*dedzia + zdc*dedzid
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| H A D | eimprop1.f | 56 real*8 dedxid,dedyid,dedzid local
205 dedzid = ycb*dedxu - xcb*dedyu
221 deid(3,id) = deid(3,id) + dedzid
230 vzz = zcb*(dedzic+dedzid) - zba*dedzia + zdc*dedzid
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| H A D | eangang1.f | 57 real*8 dedxid,dedyid,dedzid local
196 dedzid = termd * (xdb*yq-ydb*xq)
205 dedzib = -dedzia - dedzic - dedzid - dedzie
221 deaa(3,id) = deaa(3,id) + dedzid
233 vzz = zab*dedzia + zcb*dedzic + zdb*dedzid + zeb*dedzie
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| H A D | eimptor1.f | 59 real*8 dedxid,dedyid,dedzid local
215 dedzid = ycb*dedxu - xcb*dedyu
231 deit(3,id) = deit(3,id) + dedzid
240 vzz = zcb*(dedzic+dedzid) - zba*dedzia + zdc*dedzid
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| H A D | eangtor1.f | 71 real*8 dedxid,dedyid,dedzid local
247 dedzid = ycb*dedxu - xcb*dedyu
306 dedzid = dedzid + termd*(xdc*yu-ydc*xu)
324 deat(3,id) = deat(3,id) + dedzid
333 vzz = zcb*(dedzic+dedzid) - zba*dedzia + zdc*dedzid
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| H A D | etors1.f | 90 real*8 dedxid,dedyid,dedzid local
269 dedzid = ycb*dedxu - xcb*dedyu
285 det(3,id) = det(3,id) + dedzid
294 vzz = zcb*(dedzic+dedzid) - zba*dedzia + zdc*dedzid
373 real*8 dedxid,dedyid,dedzid local
599 dedzid = ycb*dedxu - xcb*dedyu
615 det(3,id) = det(3,id) + dedzid
624 vzz = zcb*(dedzic+dedzid) - zba*dedzia + zdc*dedzid
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| H A D | epitors1.f | 63 real*8 dedxid,dedyid,dedzid local
234 dedzid = ycp*dedxt - xcp*dedyt + xqc*dedyu - yqc*dedxu
258 dedzid = dedzid + dedziq - dedzia - dedzib
274 dept(3,id) = dept(3,id) + dedzid
286 vzterm = dedzid + dedzia + dedzib
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| H A D | eopbend1.f | 60 real*8 dedxid,dedyid,dedzid local
231 dedzid = dedcos * (dccdzid+deedzid)
234 dedzib = -dedzia - dedzic - dedzid
250 deopb(3,id) = deopb(3,id) + dedzid
259 vzz = zab*dedzia + zcb*dedzic + zdb*dedzid
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| H A D | eopdist1.f | 48 real*8 dedxid,dedyid,dedzid local
167 dedzid = -dedzia - dedzib - dedzic
183 deopd(3,id) = deopd(3,id) + dedzid
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| H A D | etortor1.f | 69 real*8 dedxid,dedyid,dedzid local
289 dedzid = ycb*dedxu - xcb*dedyu
342 dett(3,id) = dett(3,id) + dedzid + dedzid2
354 vzz = zcb*(dedzic+dedzid) - zba*dedzia + zdc*dedzid
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| H A D | epitors2.f | 223 real*8 dedxid,dedyid,dedzid local
356 dedzid = ycp*dedxt - xcp*dedyt + xqc*dedyu - yqc*dedxu
380 dedzid = dedzid + dedziq - dedzia - dedzib
395 de(3,id) = dedzid
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| H A D | eopbend2.f | 205 real*8 dedxid,dedyid,dedzid local
354 dedzid = dedcos * (dccdzid+deedzid)
357 dedzib = -dedzia - dedzic - dedzid
372 de(3,id) = dedzid
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| H A D | eangang2.f | 224 real*8 dedxid,dedyid,dedzid local
342 dedzid = termd * (xdb*yq-ydb*xq)
351 dedzib = -dedzia - dedzic - dedzid - dedzie
366 de(3,id) = de(3,id) + dedzid
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| H A D | egeom1.f | 72 real*8 dedxid,dedyid,dedzid local
479 dedzid = ycb*dedxu - xcb*dedyu
495 deg(3,id) = deg(3,id) + dedzid
504 vzz = zcb*(dedzic+dedzid) - zba*dedzia + zdc*dedzid
664 dedzid = -dedzia - dedzib - dedzic
680 deg(3,id) = deg(3,id) + dedzid
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| H A D | eangle1.f | 64 real*8 dedxid,dedyid,dedzid local
344 dedzid = -dedzia - dedzib - dedzic
360 dea(3,id) = dea(3,id) + dedzid
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| H A D | embed.f | 3220 real*8 dedxid,dedyid,dedzid local
3266 dedzid = -dedzia - dedzib - dedzic
3282 derivs(3,id) = derivs(3,id) + dedzid
3352 real*8 dedxid,dedyid,dedzid local
3555 dedzid = termd * (xdc*yp-ydc*xp)
3558 dedzic = -dedzib - dedzid
3571 derivs(3,id) = derivs(3,id) + dedzid
3663 dedzid = ycb*dedxu - xcb*dedyu
3679 derivs(3,id) = derivs(3,id) + dedzid
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| H A D | eangle2.f | 655 real*8 dedxid,dedyid,dedzid local
800 dedzid = -dedzia - dedzib - dedzic
815 de(3,id) = dedzid
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| /dports/science/tinker/tinker/other/ |
| H A D | eopbend.alt | 203 real*8 dedxid,dedyid,dedzid
341 dedzid = dedcos * (dccdzid+deedzid)
344 dedzib = -dedzia - dedzic - dedzid
360 deopb(3,id) = deopb(3,id) + dedzid
369 vzz = zab*dedzia + zcb*dedzic + zdb*dedzid
545 real*8 dedxid,dedyid,dedzid
668 dedzid = dedcos * (dccdzid+deedzid)
671 dedzib = -dedzia - dedzic - dedzid
686 deopb(3,id) = dedzid
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| H A D | embed.old | 2925 real*8 dedxid,dedyid,dedzid
2971 dedzid = -dedzia - dedzib - dedzic
2987 derivs(3,id) = derivs(3,id) + dedzid
3042 real*8 dedxid,dedyid,dedzid
3243 dedzid = termd * (xdc*yp-ydc*xp)
3246 dedzic = -dedzib - dedzid
3259 derivs(3,id) = derivs(3,id) + dedzid
3351 dedzid = ycb*dedxu - xcb*dedyu
3367 derivs(3,id) = derivs(3,id) + dedzid
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| H A D | estrtor.full | 262 real*8 dedxid,dedyid,dedzid
457 dedzid = ycb*dedxu - xcb*dedyu
544 dedzid = dedzid + ycb*dedxu - xcb*dedyu
631 dedzid = dedzid + ycb*dedxu - xcb*dedyu + ddrdz
649 debt(3,id) = debt(3,id) + dedzid
658 vzz = zcb*(dedzic+dedzid) - zba*dedzia + zdc*dedzid
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| H A D | eangtor.full | 264 real*8 dedxid,dedyid,dedzid
466 dedzid = ycb*dedxu - xcb*dedyu
561 dedzid = dedzid + termd*(xdc*yu-ydc*xu)
581 deat(3,id) = deat(3,id) + dedzid
590 vzz = zcb*(dedzic+dedzid) - zba*dedzia + zdc*dedzid
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | colvar_methods.F | 2978 dedyib, dedyic, dedyid, dedyt, dedyu, dedzia, dedzib, dedzic, dedzid, dedzt, dedzu, dt, & local
3093 dedzid = ycb*dedxu - xcb*dedyu
3112 ftmp(3) = dedzid
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | colvar_methods.F | 2978 dedyib, dedyic, dedyid, dedyt, dedyu, dedzia, dedzib, dedzic, dedzid, dedzt, dedzu, dt, & local
3093 dedzid = ycb*dedxu - xcb*dedyu
3112 ftmp(3) = dedzid
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