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Searched refs:dely2 (Results 26 – 50 of 81) sorted by relevance

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/dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/
H A Dangle_fourier_simple_omp.cpp91 double delx1, dely1, delz1, delx2, dely2, delz2; in eval() local
120 dely2 = x[i3].y - x[i2].y; in eval()
123 rsq2 = delx2 * delx2 + dely2 * dely2 + delz2 * delz2; in eval()
128 c = delx1 * delx2 + dely1 * dely2 + delz1 * delz2; in eval()
164 f1[1] = a11 * dely1 + a12 * dely2; in eval()
167 f3[1] = a22 * dely2 + a12 * dely1; in eval()
192 delx2, dely2, delz2, thr); in eval()
H A Dangle_cosine_periodic_omp.cpp87 double delx1,dely1,delz1,delx2,dely2,delz2; in eval() local
116 dely2 = x[i3].y - x[i2].y; in eval()
119 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in eval()
124 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in eval()
172 f1[1] = a11*dely1 + a12*dely2; in eval()
175 f3[1] = a22*dely2 + a12*dely1; in eval()
199 delx1,dely1,delz1,delx2,dely2,delz2,thr); in eval()
H A Dangle_quartic_omp.cpp85 double delx1,dely1,delz1,delx2,dely2,delz2; in eval() local
114 dely2 = x[i3].y - x[i2].y; in eval()
117 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in eval()
122 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in eval()
150 f1[1] = a11*dely1 + a12*dely2; in eval()
153 f3[1] = a22*dely2 + a12*dely1; in eval()
177 delx1,dely1,delz1,delx2,dely2,delz2,thr); in eval()
H A Dangle_charmm_omp.cpp85 double delx1,dely1,delz1,delx2,dely2,delz2; in eval() local
115 dely2 = x[i3].y - x[i2].y; in eval()
118 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in eval()
142 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in eval()
165 f1[1] = a11*dely1 + a12*dely2 - delyUB*forceUB; in eval()
169 f3[1] = a22*dely2 + a12*dely1 + delyUB*forceUB; in eval()
193 delx1,dely1,delz1,delx2,dely2,delz2,thr); in eval()
H A Dangle_sdk_omp.cpp87 double delx1,dely1,delz1,delx2,dely2,delz2,delx3,dely3,delz3; in eval() local
116 dely2 = x[i3].y - x[i2].y; in eval()
119 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in eval()
124 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in eval()
196 f1[1] = a11*dely1 + a12*dely2; in eval()
199 f3[1] = a22*dely2 + a12*dely1; in eval()
224 delx1,dely1,delz1,delx2,dely2,delz2,thr); in eval()
/dports/science/lammps/lammps-stable_29Sep2021/src/MOFFF/
H A Dangle_cosine_buck6d.cpp60 double delx1,dely1,delz1,delx2,dely2,delz2; in compute() local
106 dely2 = x[i3][1] - x[i2][1]; in compute()
109 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in compute()
114 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in compute()
200 f1[1] = a11*dely1 + a12*dely2; in compute()
203 f3[1] = a22*dely2 + a12*dely1; in compute()
227 delx1,dely1,delz1,delx2,dely2,delz2); in compute()
372 double dely2 = x[i3][1] - x[i2][1]; in single() local
374 domain->minimum_image(delx2,dely2,delz2); in single()
375 double r2 = sqrt(delx2*delx2 + dely2*dely2 + delz2*delz2); in single()
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/dports/science/lammps/lammps-stable_29Sep2021/src/CG-SDK/
H A Dangle_sdk.cpp67 double delx1,dely1,delz1,delx2,dely2,delz2,delx3,dely3,delz3; in compute() local
100 dely2 = x[i3][1] - x[i2][1]; in compute()
103 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in compute()
108 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in compute()
183 f1[1] = a11*dely1 + a12*dely2; in compute()
186 f3[1] = a22*dely2 + a12*dely1; in compute()
211 delx1,dely1,delz1,delx2,dely2,delz2); in compute()
453 double dely2 = x[i3][1] - x[i2][1]; in single() local
455 domain->minimum_image(delx2,dely2,delz2); in single()
456 double r2 = sqrt(delx2*delx2 + dely2*dely2 + delz2*delz2); in single()
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/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/
H A Dangle_cosine_kokkos.cpp165 const F_FLOAT dely2 = x(i3,1) - x(i2,1); in operator ()() local
168 const F_FLOAT rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in operator ()()
173 F_FLOAT c = delx1*delx2 + dely1*dely2 + delz1*delz2; in operator ()()
190 f1[1] = a11*dely1 + a12*dely2; in operator ()()
193 f3[1] = a22*dely2 + a12*dely1; in operator ()()
217 delx1,dely1,delz1,delx2,dely2,delz2); in operator ()()
283 const F_FLOAT &delx2, const F_FLOAT &dely2, const F_FLOAT &delz2) const in ev_tally() argument
314 v[1] = dely1*f1[1] + dely2*f3[1]; in ev_tally()
318 v[5] = dely1*f1[2] + dely2*f3[2]; in ev_tally()
H A Dangle_harmonic_kokkos.cpp166 const F_FLOAT dely2 = x(i3,1) - x(i2,1); in operator ()() local
169 const F_FLOAT rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in operator ()()
174 F_FLOAT c = delx1*delx2 + dely1*dely2 + delz1*delz2; in operator ()()
199 f1[1] = a11*dely1 + a12*dely2; in operator ()()
202 f3[1] = a22*dely2 + a12*dely1; in operator ()()
226 delx1,dely1,delz1,delx2,dely2,delz2); in operator ()()
301 const F_FLOAT &delx2, const F_FLOAT &dely2, const F_FLOAT &delz2) const in ev_tally() argument
332 v[1] = dely1*f1[1] + dely2*f3[1]; in ev_tally()
336 v[5] = dely1*f1[2] + dely2*f3[2]; in ev_tally()
H A Dangle_class2_kokkos.cpp182 const F_FLOAT dely2 = x(i3,1) - x(i2,1); in operator ()() local
185 const F_FLOAT rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in operator ()()
190 F_FLOAT c = delx1*delx2 + dely1*dely2 + delz1*delz2; in operator ()()
216 f1[1] = a11*dely1 + a12*dely2; in operator ()()
219 f3[1] = a22*dely2 + a12*dely1; in operator ()()
237 f3[1] -= dely2*tk1/r2; in operator ()()
254 const F_FLOAT vy11 = (aa11 * dely1) + (aa12 * dely2); in operator ()()
255 const F_FLOAT vy12 = (aa21 * dely1) + (aa22 * dely2); in operator ()()
277 f3[1] -= vy21 + b2*dely2 + vy22; in operator ()()
525 v[1] = dely1*f1[1] + dely2*f3[1]; in ev_tally()
[all …]
H A Dangle_charmm_kokkos.cpp161 const F_FLOAT dely2 = x(i3,1) - x(i2,1); in operator ()() local
164 const F_FLOAT rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in operator ()()
189 F_FLOAT c = delx1*delx2 + dely1*dely2 + delz1*delz2; in operator ()()
213 f1[1] = a11*dely1 + a12*dely2 - delyUB*forceUB; in operator ()()
217 f3[1] = a22*dely2 + a12*dely1 + delyUB*forceUB; in operator ()()
241 delx1,dely1,delz1,delx2,dely2,delz2); in operator ()()
347 const F_FLOAT &delx2, const F_FLOAT &dely2, const F_FLOAT &delz2) const in ev_tally() argument
374 v[1] = dely1*f1[1] + dely2*f3[1]; in ev_tally()
378 v[5] = dely1*f1[2] + dely2*f3[2]; in ev_tally()
H A Dpair_tersoff_kokkos.cpp422 const F_FLOAT dely2 = ytmp - x(k,1); in operator ()() local
424 const F_FLOAT rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in operator ()()
465 const F_FLOAT rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in operator ()()
590 dely2 = ytmp - x(k,1); in operator ()()
592 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in operator ()()
628 dely2 = ytmp - x(k,1); in operator ()()
630 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in operator ()()
714 dely2 = x(j,1) - x(k,1); in operator ()()
716 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in operator ()()
754 dely2 = x(j,1) - x(k,1); in operator ()()
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H A Dpair_tersoff_mod_kokkos.cpp422 const F_FLOAT dely2 = ytmp - x(k,1); in operator ()() local
424 const F_FLOAT rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in operator ()()
465 const F_FLOAT rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in operator ()()
590 dely2 = ytmp - x(k,1); in operator ()()
592 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in operator ()()
628 dely2 = ytmp - x(k,1); in operator ()()
630 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in operator ()()
714 dely2 = x(j,1) - x(k,1); in operator ()()
716 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in operator ()()
754 dely2 = x(j,1) - x(k,1); in operator ()()
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H A Dpair_tersoff_zbl_kokkos.cpp466 const F_FLOAT dely2 = ytmp - x(k,1); in operator ()() local
468 const F_FLOAT rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in operator ()()
509 const F_FLOAT rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in operator ()()
664 dely2 = ytmp - x(k,1); in operator ()()
666 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in operator ()()
702 dely2 = ytmp - x(k,1); in operator ()()
704 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in operator ()()
788 dely2 = x(j,1) - x(k,1); in operator ()()
790 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in operator ()()
828 dely2 = x(j,1) - x(k,1); in operator ()()
[all …]
H A Dangle_cosine_kokkos.h60 const F_FLOAT &delx2, const F_FLOAT &dely2, const F_FLOAT &delz2) const;
H A Dangle_harmonic_kokkos.h60 const F_FLOAT &delx2, const F_FLOAT &dely2, const F_FLOAT &delz2) const;
/dports/science/lammps/lammps-stable_29Sep2021/src/INTEL/
H A Dangle_harmonic_intel.cpp192 const flt_t dely2 = x[i3].y - x[i2].y; local
195 const flt_t rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2;
200 flt_t c = delx1*delx2 + dely1*dely2 + delz1*delz2;
226 const flt_t f1y = a11*dely1 + a12*dely2;
230 const flt_t f3y = a22*dely2 + a12*dely1;
266 delz1, delx2, dely2, delz2, seangle, f,
272 delz1, delx2, dely2, delz2, oeangle, f,
H A Dangle_charmm_intel.cpp192 const flt_t dely2 = x[i3].y - x[i2].y; local
195 const flt_t rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2;
221 flt_t c = delx1*delx2 + dely1*dely2 + delz1*delz2;
244 const flt_t f1y = a11*dely1 + a12*dely2 - delyUB*forceUB;
248 const flt_t f3y = a22*dely2 + a12*dely1 + delyUB*forceUB;
284 dely1, delz1, delx2, dely2, delz2, seangle,
290 dely1, delz1, delx2, dely2, delz2, oeangle,
/dports/science/lammps/lammps-stable_29Sep2021/src/MOLECULE/
H A Dangle_table.cpp74 double delx1,dely1,delz1,delx2,dely2,delz2; in compute() local
106 dely2 = x[i3][1] - x[i2][1]; in compute()
109 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in compute()
114 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in compute()
137 f1[1] = a11*dely1 + a12*dely2; in compute()
140 f3[1] = a22*dely2 + a12*dely1; in compute()
164 delx1,dely1,delz1,delx2,dely2,delz2); in compute()
335 double dely2 = x[i3][1] - x[i2][1]; in single() local
337 domain->minimum_image(delx2,dely2,delz2); in single()
338 double r2 = sqrt(delx2*delx2 + dely2*dely2 + delz2*delz2); in single()
[all …]
/dports/science/lammps/lammps-stable_29Sep2021/src/
H A Dcompute_angle_local.cpp199 double delx1,dely1,delz1,delx2,dely2,delz2; in compute_angles() local
270 dely2 = x[atom3][1] - x[atom2][1]; in compute_angles()
272 domain->minimum_image(delx2,dely2,delz2); in compute_angles()
274 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in compute_angles()
280 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in compute_angles()
H A Dangle.cpp185 double delx2, double dely2, double delz2) in ev_tally() argument
209 v[1] = dely1*f1[1] + dely2*f3[1]; in ev_tally()
213 v[5] = dely1*f1[2] + dely2*f3[2]; in ev_tally()
293 a1[1] = THIRD*(2*dely1-dely2); in ev_tally()
312 a2[1] = THIRD*(-dely1-dely2); in ev_tally()
334 a3[1] = THIRD*(-dely1+2*dely2); in ev_tally()
H A Dfix_restrain.cpp407 double delx1,dely1,delz1,delx2,dely2,delz2; in restrain_angle() local
456 dely2 = x[i3][1] - x[i2][1]; in restrain_angle()
458 domain->minimum_image(delx2,dely2,delz2); in restrain_angle()
460 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in restrain_angle()
465 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in restrain_angle()
489 f1[1] = a11*dely1 + a12*dely2; in restrain_angle()
492 f3[1] = a22*dely2 + a12*dely1; in restrain_angle()
/dports/science/lammps/lammps-stable_29Sep2021/unittest/force-styles/
H A Dtest_bond_style.cpp812 double dely2 = x[idx4][1] - x[idx3][1]; in TEST() local
814 double rsq2 = delx2 * delx2 + dely2 * dely2 + delz2 * delz2; in TEST()
833 EXPECT_FP_LE_WITH_EPS(f[idx4][1], fsingle * dely2, epsilon); in TEST()
852 dely2 = x[idx4][1] - x[idx3][1]; in TEST()
854 rsq2 = delx2 * delx2 + dely2 * dely2 + delz2 * delz2; in TEST()
871 EXPECT_FP_LE_WITH_EPS(f[idx4][1], fsingle * dely2, epsilon); in TEST()
890 dely2 = x[idx4][1] - x[idx3][1]; in TEST()
892 rsq2 = delx2 * delx2 + dely2 * dely2 + delz2 * delz2; in TEST()
909 EXPECT_FP_LE_WITH_EPS(f[idx4][1], fsingle * dely2, epsilon); in TEST()
928 dely2 = x[idx4][1] - x[idx3][1]; in TEST()
[all …]
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/
H A Dangle.cpp164 double delx2, double dely2, double delz2) in ev_tally() argument
188 v[1] = dely1*f1[1] + dely2*f3[1]; in ev_tally()
192 v[5] = dely1*f1[2] + dely2*f3[2]; in ev_tally()
/dports/science/lammps/lammps-stable_29Sep2021/src/KSPACE/
H A Dpppm_tip4p.cpp570 double dely2 = xh2[1] - xo[1]; in find_M() local
574 xm[1] = xo[1] + alpha * 0.5 * (dely1 + dely2); in find_M()
593 double dely2 = x[iH2][1] - x[i][1]; in find_M() local
597 xM[1] = x[i][1] + alpha * 0.5 * (dely1 + dely2); in find_M()

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