| /dports/science/tinker/tinker/source/ |
| H A D | edipole2.f | 36 real*8 doti,dotk,dotp local
149 dotk = xk*xr + yk*yr + zk*zr
154 dotik = doti * dotk
200 xidotk = xi * dotk
201 yidotk = yi * dotk
202 zidotk = zi * dotk
218 deddoti = de * 3.0d0*dotk
792 dotik = doti * dotk
838 xidotk = xi * dotk
839 yidotk = yi * dotk
[all …]
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| H A D | echgdpl.f | 35 real*8 e,rk2,rkr3,dotk local
106 dotk = xk*xr + yk*yr + zk*zr
107 e = fik * dotk / rkr3
182 dotk = xk*xr + yk*yr + zk*zr
183 e = fik * dotk / rkr3
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| H A D | echgdpl1.f | 38 real*8 e,r2,rk2,rkr3,dotk local
128 dotk = xk*xr + yk*yr + zk*zr
132 e = fik * dotk / rkr3
144 term2 = -3.0d0 * dotk / r2
145 term3 = -dotk / rk2
281 dotk = xk*xr + yk*yr + zk*zr
285 e = fik * dotk / rkr3
297 term2 = -3.0d0 * dotk / r2
298 term3 = -dotk / rk2
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| H A D | echgdpl3.f | 43 real*8 e,rk2,rkr3,dotk local
131 dotk = xk*xr + yk*yr + zk*zr
132 e = fik * dotk / rkr3
235 dotk = xk*xr + yk*yr + zk*zr
236 e = fik * dotk / rkr3
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| H A D | edipole.f | 39 real*8 doti,dotk,dotp local
101 dotk = xk*xr + yk*yr + zk*zr
103 e = fik * (dotp-3.0d0*doti*dotk/r2) / rirkr3
177 dotk = xk*xr + yk*yr + zk*zr
185 e = fik * (dotp-3.0d0*doti*dotk/r2) / rirkr3
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| H A D | echgdpl2.f | 40 real*8 e,r2,rk2,rkr3,dotk local
159 dotk2 = 2.0d0 * dotk
160 dotkr2 = dotk / r2
165 term2 = -3.0d0 * dotk
176 e = fik * dotk / rkr3
412 dotk2 = 2.0d0 * dotk
413 dotkr2 = dotk / r2
414 dotkrk2 = dotk / rk2
419 term2 = -3.0d0 * dotk
824 dotkr2 = dotk / r2
[all …]
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| H A D | edipole1.f | 43 real*8 doti,dotk,dotp local
128 dotk = xk*xr + yk*yr + zk*zr
133 e = fik * (dotp-3.0d0*doti*dotk/r2) / rirkr3
146 deddoti = de * 3.0d0*dotk
148 dedr = de * (3.0d0*dotp-15.0d0*doti*dotk/r2)
309 dotk = xk*xr + yk*yr + zk*zr
320 e = fik * (dotp-3.0d0*doti*dotk/r2) / rirkr3
333 deddoti = de * 3.0d0*dotk
335 dedr = de * (3.0d0*dotp-15.0d0*doti*dotk/r2)
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| H A D | edipole3.f | 47 real*8 doti,dotk,dotp local
125 dotk = xk*xr + yk*yr + zk*zr
127 e = fik * (dotp-3.0d0*doti*dotk/r2) / rirkr3
231 dotk = xk*xr + yk*yr + zk*zr
239 e = fik * (dotp-3.0d0*doti*dotk/r2) / rirkr3
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| H A D | potential.f | 1072 real*8 r,r2,dotk local
1128 dotk = xk*xr + yk*yr + zk*zr
1129 e = (fi/debye) * bdpl(k) * dotk / rkr3
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| /dports/science/tinker/tinker/other/ |
| H A D | hessfull.f | 1843 dotk2 = 2.0d0 * dotk
1844 dotkr2 = dotk / r2
1845 dotkrk2 = dotk / rk2
1850 term2 = -3.0d0 * dotk
1907 part2 = dotk*xrr2 - part
1924 part2 = dotk*yrr2 - part
1941 part2 = dotk*zrr2 - part
2214 dotik = doti * dotk
2261 xidotk = xi * dotk
2262 yidotk = yi * dotk
[all …]
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| /dports/science/openbabel/openbabel-3.1.1/src/forcefields/ |
| H A D | forcefieldmm2.cpp | 409 double e, energy, dipole, dipole2, r2, ri2, rk2, rirkr3, dotp, doti, dotk, fik; in E_Electrostatic() local
467 dotk = dot(cd, r); in E_Electrostatic()
470 e = fik * (dotp - 3.0 * doti * dotk/r2) / rirkr3; in E_Electrostatic()
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| /dports/science/atompaw/atompaw-4.1.1.0/src/ |
| H A D | pseudo_sub.F90 | 719 REAL(8) :: occ,term,term1,wgt,occi,occj,rc,kappa,doti,dotj,dotk,dotl local
748 dotk=overlap(Grid,PAW%otp(:,kb),phi(:,jo))
752 term=doti*dotj*dotk*dotl
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| /dports/math/gismo/gismo-21.12.0/external/ |
| H A D | exprtk.hpp | 39895 class dotk : public exprtk::igeneric_function<T> class
39907 dotk() in dotk() function in exprtk::rtl::vecops::dotk
39964 dotk <T> dtk;
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| /dports/math/openturns/openturns-1.18/lib/src/Base/Func/openturns/ |
| H A D | exprtk.hpp | 40322 class dotk : public exprtk::igeneric_function<T> class
40334 dotk() in dotk() function in exprtk::rtl::vecops::dotk
40391 dotk <T> dtk;
|
| /dports/math/exprtk/exprtk-ca5c577917646ddba3f71ce6d5dd7d01f351ee80/ |
| H A D | exprtk.hpp | 39899 class dotk : public exprtk::igeneric_function<T> class
39911 dotk() in dotk() function in exprtk::rtl::vecops::dotk
39968 dotk <T> dtk;
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| /dports/math/vtk9/VTK-9.1.0/ThirdParty/exprtk/vtkexprtk/ |
| H A D | exprtk.hpp | 40324 class dotk : public exprtk::igeneric_function<T> class
40336 dotk() in dotk() function in exprtk::rtl::vecops::dotk
40393 dotk <T> dtk;
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| /dports/www/nift/nsm-2.4.11/exprtk/ |
| H A D | exprtk.h | 38890 class dotk : public exprtk::igeneric_function<T>
38902 dotk()
38959 dotk <T> dtk;
|
| /dports/textproc/scim-openvanilla/openvanilla-0.7.2.20070514/Modules/SharedData/ |
| H A D | jinjin.cin | 846 dotk 衰
|
| /dports/textproc/openvanilla-framework/openvanilla-0.7.2.20070514/Modules/SharedData/ |
| H A D | jinjin.cin | 846 dotk 衰
|
| /dports/devel/stylua/StyLua-0.11.0/cargo-crates/csv-1.1.6/examples/data/bench/ |
| H A D | worldcitiespop.csv | 12303 hu,dotk,Dötk,24,,46.95,17.016667
|
| /dports/multimedia/librav1e/rav1e-0.5.1/cargo-crates/csv-1.1.6/examples/data/bench/ |
| H A D | worldcitiespop.csv | 12303 hu,dotk,Dötk,24,,46.95,17.016667
|
| /dports/multimedia/rav1e/rav1e-0.5.1/cargo-crates/csv-1.1.6/examples/data/bench/ |
| H A D | worldcitiespop.csv | 12303 hu,dotk,Dötk,24,,46.95,17.016667
|
| /dports/net-im/zkgroup/zkgroup-0.7.4/cargo-crates/csv-1.1.6/examples/data/bench/ |
| H A D | worldcitiespop.csv | 12303 hu,dotk,Dötk,24,,46.95,17.016667
|
| /dports/misc/broot/broot-1.7.0/cargo-crates/csv-1.1.6/examples/data/bench/ |
| H A D | worldcitiespop.csv | 12303 hu,dotk,Dötk,24,,46.95,17.016667
|
| /dports/net-im/libsignal-client/libsignal-client-0.9.6/cargo-crates/csv-1.1.5/examples/data/bench/ |
| H A D | worldcitiespop.csv | 12303 hu,dotk,Dötk,24,,46.95,17.016667
|