| /dports/science/tinker/tinker/source/ |
| H A D | egauss1.f | 78 real*8 dedx,dedy,dedz local
229 dedx = de * xr
265 vxx = xr * dedx
266 vyx = yr * dedx
532 real*8 dedx,dedy,dedz local
870 real*8 dedx,dedy,dedz local
1150 real*8 dedx,dedy,dedz local
1329 dedx = de * xr
1365 vxx = xr * dedx
1366 vyx = yr * dedx
[all …]
|
| H A D | ebuck1.f | 99 real*8 dedx,dedy,dedz local
254 dedx = de * xr
290 vxx = xr * dedx
291 vyx = yr * dedx
292 vzx = zr * dedx
556 real*8 dedx,dedy,dedz local
772 dedx = de * xr
808 vxx = xr * dedx
809 vyx = yr * dedx
898 real*8 dedx,dedy,dedz local
[all …]
|
| H A D | elj1.f | 97 real*8 dedx,dedy,dedz local
260 dedx = de * xr
296 vxx = xr * dedx
297 vyx = yr * dedx
298 vzx = zr * dedx
578 real*8 dedx,dedy,dedz local
802 dedx = de * xr
930 real*8 dedx,dedy,dedz local
1103 dedx = de * xr
1253 real*8 dedx,dedy,dedz local
[all …]
|
| H A D | ehal1.f | 91 real*8 dedx,dedy,dedz local
273 dedx = de * xr
309 vxx = xr * dedx
310 vyx = yr * dedx
311 vzx = zr * dedx
605 real*8 dedx,dedy,dedz local
848 dedx = de * xr
884 vxx = xr * dedx
885 vyx = yr * dedx
975 real*8 dedx,dedy,dedz local
[all …]
|
| H A D | eurey1.f | 34 real*8 dedx,dedy,dedz local
96 dedx = de * xac
103 deub(1,ia) = deub(1,ia) + dedx
106 deub(1,ic) = deub(1,ic) - dedx
112 vxx = xac * dedx
113 vyx = yac * dedx
114 vzx = zac * dedx
|
| H A D | ebond1.f | 34 real*8 de,dedx,dedy,dedz local
116 dedx = de * xab
123 deb(1,ia) = deb(1,ia) + dedx
126 deb(1,ib) = deb(1,ib) - dedx
132 vxx = xab * dedx
133 vyx = yab * dedx
134 vzx = zab * dedx
|
| H A D | born.f | 612 real*8 dedx,dedy,dedz local
682 dedx = de * xr
694 vxx = xr * dedx
695 vyx = yr * dedx
696 vzx = zr * dedx
754 dedx = de * xr
827 dedx = de * xr
981 dedx = de * xr
993 vxx = xr * dedx
994 vyx = yr * dedx
[all …]
|
| H A D | echarge1.f | 84 real*8 dedx,dedy,dedz local
221 dedx = de * xr
501 real*8 dedx,dedy,dedz local
817 real*8 dedx,dedy,dedz local
1081 real*8 dedx,dedy,dedz local
1150 dedx = de * xd
1463 real*8 dedx,dedy,dedz local
1539 dedx = de * xd
1787 real*8 dedx,dedy,dedz local
1856 dedx = de * xd
[all …]
|
| H A D | egeom1.f | 42 real*8 dedx,dedy,dedz local
153 dedx = de * xr
166 vxx = xr * dedx
167 vyx = yr * dedx
168 vzx = zr * dedx
219 dedx = de * xr
235 vxx = xr * dedx
567 dedx = de * xr
591 vxx = xr * dedx
592 vyx = yr * dedx
[all …]
|
| H A D | emm3hb1.f | 106 real*8 dedx,dedy,dedz local
332 dedx = de * xr
403 vxx = xr * dedx
404 vyx = yr * dedx
405 vzx = zr * dedx
782 real*8 dedx,dedy,dedz local
1084 dedx = de * xr
1155 vxx = xr * dedx
1156 vyx = yr * dedx
1258 real*8 dedx,dedy,dedz local
[all …]
|
| H A D | edisp1.f | 113 real*8 dedx,dedy,dedz local
287 dedx = de * xr/r
299 vxx = xr * dedx
300 vyx = yr * dedx
301 vzx = zr * dedx
590 real*8 dedx,dedy,dedz local
786 vxx = xr * dedx
943 real*8 dedx,dedy,dedz local
1094 dedx = de * xr
1444 real*8 dedx,dedy,dedz local
[all …]
|
| H A D | esolv1.f | 179 real*8 dedx,dedy,dedz local
375 real*8 dedx,dedy,dedz local
496 dedx = de * xr
512 vxx = xr * dedx
575 real*8 dedx,dedy,dedz local
666 dedx = de * xr
797 real*8 dedx,dedy,dedz local
2231 dedx = dedx * fgrp
4758 real*8 dedx,dedy,dedz local
4994 dedx = de * xr
[all …]
|
| H A D | echarge2.f | 733 real*8 dedx,dedy,dedz local
770 dedx = de * xd
773 dec(1,i) = dec(1,i) + dedx
|
| /dports/science/tinker/tinker/other/ |
| H A D | neighbor.f | 846 dedx = de * xr
942 virx = virx + xr*dedx
1021 dedx = de * xr
1030 dev(1,i) = dev(1,i) + dedx
1063 virx = virx + xr*dedx
1110 real*8 dedx,dedy,dedz,dedxc,dedyc,dedzc local
1196 dedx = de * xr
1206 dec(1,i) = dec(1,i) + dedx
1212 dec(1,k) = dec(1,k) - dedx
1300 dedx = de * xr
[all …]
|
| H A D | ehal1.virial | 97 real*8 dedx,dedy,dedz
274 dedx = de * xr
310 vxx = xr * dedx
311 vyx = yr * dedx
312 vzx = zr * dedx
613 real*8 dedx,dedy,dedz
851 dedx = de * xr
887 vxx = xr * dedx
888 vyx = yr * dedx
995 real*8 dedx,dedy,dedz
[all …]
|
| H A D | ewca.f | 853 real*8 dedx,dedy,dedz local
1011 dedx = de * xr
1047 vxx = xr * dedx
1048 vyx = yr * dedx
1049 vzx = zr * dedx
1308 real*8 dedx,dedy,dedz local
1520 dedx = de * xr
1556 vxx = xr * dedx
1557 vyx = yr * dedx
1634 real*8 dedx,dedy,dedz local
[all …]
|
| H A D | buildframe.f | 1144 real*8 dedx,dedy,dedz
1174 dedx = dedux*dux_dx + deduy*dux_dy + deduz*dux_dz
1177 sitefrc(1,i) = sitefrc(1,i) + dedx
1180 sitefrc(1,j) = sitefrc(1,j) - dedx
|
| /dports/science/libgridxc/libgridxc-libgridxc-0.9.6/src/ |
| H A D | interpolation.f90 | 606 real(dp):: c(n), d(n), e(n), dcdx(n), dddx(n), dedx(n), dx1(n), dx2(n), dxi(n) local
626 dedx(1:nm) = (dcdx(2:nm+1) - dddx(1:nm)) / dxi(1:nm)
627 dcdx(1:nm) = - e(1:nm) + dx1(1:nm)*dedx(1:nm)
628 dddx(1:nm) = - e(1:nm) + dx2(1:nm)*dedx(1:nm)
|
| /dports/science/siesta/siesta-4.1.5/Src/ |
| H A D | interpolation.f90 | 613 real(dp):: c(n), d(n), e(n), dcdx(n), dddx(n), dedx(n), dx1(n), dx2(n), dxi(n) local
633 dedx(1:nm) = (dcdx(2:nm+1) - dddx(1:nm)) / dxi(1:nm)
634 dcdx(1:nm) = - e(1:nm) + dx1(1:nm)*dedx(1:nm)
635 dddx(1:nm) = - e(1:nm) + dx2(1:nm)*dedx(1:nm)
|
| /dports/cad/opencascade/opencascade-7.6.0/src/GeomFill/ |
| H A D | GeomFill_GuideTrihedronPlan.cxx | 321 Standard_Real dedx, dedt, dtg_dt; in D1() local
322 E.Derivative(Res, dedx); in D1()
324 dtg_dt = -dedt/dedx; in D1()
|
| /dports/science/lammps/lammps-stable_29Sep2021/src/MOLECULE/ |
| H A D | dihedral_table.cpp | 1209 double dedx = (tb->e[ip1] - tb->e[im1]) / (2.0 * tb->delta); in compute_table() local
1212 tb->f[i] = -dedx; in compute_table()
|
| /dports/textproc/scim-openvanilla/openvanilla-0.7.2.20070514/Modules/SharedData/ |
| H A D | jinjin.cin | 27207 dedx 主義
|
| /dports/textproc/openvanilla-framework/openvanilla-0.7.2.20070514/Modules/SharedData/ |
| H A D | jinjin.cin | 27207 dedx 主義
|
| /dports/chinese/ibus-table-chinese/ibus-table-chinese-1.8.3/tables/wubi-haifeng/ |
| H A D | CJKb.tab | 39718 39717 29B24 ��. dedx . . . 121115433313534 .
|
| /dports/chinese/brise/brise-brise-0.35/supplement/ |
| H A D | wubi86.dict.yaml | 20911 �� dedx 0
|