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Searched refs:dely2 (Results 1 – 25 of 81) sorted by relevance

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/dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-MOLECULE/
H A Dangle_cosine_delta.cpp39 double delx1,dely1,delz1,delx2,dely2,delz2,theta,dtheta,dcostheta,tk; in compute() local
71 dely2 = x[i3][1] - x[i2][1]; in compute()
74 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in compute()
79 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in compute()
117 f1[1] = (a11*dely1 + a12*dely2)*c0 + (b11*dely1 + b12*dely2)*s0; in compute()
120 f3[1] = (a22*dely2 + a12*dely1)*c0 + (b22*dely2 + b12*dely1)*s0; in compute()
144 delx1,dely1,delz1,delx2,dely2,delz2); in compute()
161 double dely2 = x[i3][1] - x[i2][1]; in single() local
163 domain->minimum_image(delx2,dely2,delz2); in single()
164 double r2 = sqrt(delx2*delx2 + dely2*dely2 + delz2*delz2); in single()
[all …]
H A Dangle_cosine_shift.cpp62 double delx1,dely1,delz1,delx2,dely2,delz2; in compute() local
94 dely2 = x[i3][1] - x[i2][1]; in compute()
97 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in compute()
101 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in compute()
122 f1[1] = a11*dely1 + a12*dely2; in compute()
125 f3[1] = a22*dely2 + a12*dely1; in compute()
149 delx1,dely1,delz1,delx2,dely2,delz2); in compute()
265 double dely2 = x[i3][1] - x[i2][1]; in single() local
267 domain->minimum_image(delx2,dely2,delz2); in single()
268 double r2 = sqrt(delx2*delx2 + dely2*dely2 + delz2*delz2); in single()
[all …]
H A Dangle_cosine_periodic.cpp60 double delx1,dely1,delz1,delx2,dely2,delz2; in compute() local
93 dely2 = x[i3][1] - x[i2][1]; in compute()
96 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in compute()
101 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in compute()
149 f1[1] = a11*dely1 + a12*dely2; in compute()
152 f3[1] = a22*dely2 + a12*dely1; in compute()
176 delx1,dely1,delz1,delx2,dely2,delz2); in compute()
288 double dely2 = x[i3][1] - x[i2][1]; in single() local
290 domain->minimum_image(delx2,dely2,delz2); in single()
291 double r2 = sqrt(delx2*delx2 + dely2*dely2 + delz2*delz2); in single()
[all …]
H A Dangle_fourier_simple.cpp63 double delx1, dely1, delz1, delx2, dely2, delz2; in compute() local
96 dely2 = x[i3][1] - x[i2][1]; in compute()
99 rsq2 = delx2 * delx2 + dely2 * dely2 + delz2 * delz2; in compute()
104 c = delx1 * delx2 + dely1 * dely2 + delz1 * delz2; in compute()
140 f1[1] = a11 * dely1 + a12 * dely2; in compute()
143 f3[1] = a22 * dely2 + a12 * dely1; in compute()
167 ev_tally(i1, i2, i3, nlocal, newton_bond, eangle, f1, f3, delx1, dely1, delz1, delx2, dely2, in compute()
275 double dely2 = x[i3][1] - x[i2][1]; in single() local
277 domain->minimum_image(delx2, dely2, delz2); in single()
278 double r2 = sqrt(delx2 * delx2 + dely2 * dely2 + delz2 * delz2); in single()
[all …]
H A Dangle_fourier.cpp66 double delx1,dely1,delz1,delx2,dely2,delz2; in compute() local
99 dely2 = x[i3][1] - x[i2][1]; in compute()
102 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in compute()
107 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in compute()
126 f1[1] = a11*dely1 + a12*dely2; in compute()
129 f3[1] = a22*dely2 + a12*dely1; in compute()
153 delx1,dely1,delz1,delx2,dely2,delz2); in compute()
272 double dely2 = x[i3][1] - x[i2][1]; in single() local
274 domain->minimum_image(delx2,dely2,delz2); in single()
275 double r2 = sqrt(delx2*delx2 + dely2*dely2 + delz2*delz2); in single()
[all …]
H A Dangle_quartic.cpp60 double delx1,dely1,delz1,delx2,dely2,delz2; in compute() local
93 dely2 = x[i3][1] - x[i2][1]; in compute()
96 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in compute()
101 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in compute()
130 f1[1] = a11*dely1 + a12*dely2; in compute()
133 f3[1] = a22*dely2 + a12*dely1; in compute()
157 delx1,dely1,delz1,delx2,dely2,delz2); in compute()
273 double dely2 = x[i3][1] - x[i2][1]; in single() local
275 domain->minimum_image(delx2,dely2,delz2); in single()
276 double r2 = sqrt(delx2*delx2 + dely2*dely2 + delz2*delz2); in single()
[all …]
H A Dangle_cosine_shift_exp.cpp71 double delx1,dely1,delz1,delx2,dely2,delz2; in compute() local
104 dely2 = x[i3][1] - x[i2][1]; in compute()
107 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in compute()
111 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in compute()
147 f1[1] = a11*dely1 + a12*dely2; in compute()
150 f3[1] = a22*dely2 + a12*dely1; in compute()
174 delx1,dely1,delz1,delx2,dely2,delz2); in compute()
304 double dely2 = x[i3][1] - x[i2][1]; in single() local
306 domain->minimum_image(delx2,dely2,delz2); in single()
307 double r2 = sqrt(delx2*delx2 + dely2*dely2 + delz2*delz2); in single()
[all …]
H A Dangle_gaussian.cpp67 double delx1,dely1,delz1,delx2,dely2,delz2; in compute() local
101 dely2 = x[i3][1] - x[i2][1]; in compute()
104 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in compute()
109 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in compute()
143 f1[1] = a11*dely1 + a12*dely2; in compute()
146 f3[1] = a22*dely2 + a12*dely1; in compute()
170 delx1,dely1,delz1,delx2,dely2,delz2); in compute()
327 double dely2 = x[i3][1] - x[i2][1]; in single() local
329 domain->minimum_image(delx2,dely2,delz2); in single()
330 double r2 = sqrt(delx2*delx2 + dely2*dely2 + delz2*delz2); in single()
[all …]
/dports/science/lammps/lammps-stable_29Sep2021/src/MOLECULE/
H A Dangle_cosine.cpp52 double delx1,dely1,delz1,delx2,dely2,delz2; in compute() local
84 dely2 = x[i3][1] - x[i2][1]; in compute()
87 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in compute()
92 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in compute()
107 f1[1] = a11*dely1 + a12*dely2; in compute()
110 f3[1] = a22*dely2 + a12*dely1; in compute()
134 delx1,dely1,delz1,delx2,dely2,delz2); in compute()
227 double dely2 = x[i3][1] - x[i2][1]; in single() local
229 domain->minimum_image(delx2,dely2,delz2); in single()
230 double r2 = sqrt(delx2*delx2 + dely2*dely2 + delz2*delz2); in single()
[all …]
H A Dangle_cosine_squared.cpp61 double delx1,dely1,delz1,delx2,dely2,delz2; in compute() local
94 dely2 = x[i3][1] - x[i2][1]; in compute()
97 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in compute()
102 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in compute()
121 f1[1] = a11*dely1 + a12*dely2; in compute()
124 f3[1] = a22*dely2 + a12*dely1; in compute()
148 delx1,dely1,delz1,delx2,dely2,delz2); in compute()
252 double dely2 = x[i3][1] - x[i2][1]; in single() local
254 domain->minimum_image(delx2,dely2,delz2); in single()
255 double r2 = sqrt(delx2*delx2 + dely2*dely2 + delz2*delz2); in single()
[all …]
H A Dangle_harmonic.cpp57 double delx1,dely1,delz1,delx2,dely2,delz2; in compute() local
90 dely2 = x[i3][1] - x[i2][1]; in compute()
93 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in compute()
98 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in compute()
121 f1[1] = a11*dely1 + a12*dely2; in compute()
124 f3[1] = a22*dely2 + a12*dely1; in compute()
148 delx1,dely1,delz1,delx2,dely2,delz2); in compute()
252 double dely2 = x[i3][1] - x[i2][1]; in single() local
254 domain->minimum_image(delx2,dely2,delz2); in single()
255 double r2 = sqrt(delx2*delx2 + dely2*dely2 + delz2*delz2); in single()
[all …]
H A Dangle_charmm.cpp59 double delx1,dely1,delz1,delx2,dely2,delz2; in compute() local
93 dely2 = x[i3][1] - x[i2][1]; in compute()
96 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in compute()
120 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in compute()
143 f1[1] = a11*dely1 + a12*dely2 - delyUB*forceUB; in compute()
147 f3[1] = a22*dely2 + a12*dely1 + delyUB*forceUB; in compute()
171 delx1,dely1,delz1,delx2,dely2,delz2); in compute()
287 double dely2 = x[i3][1] - x[i2][1]; in single() local
289 domain->minimum_image(delx2,dely2,delz2); in single()
290 double r2 = sqrt(delx2*delx2 + dely2*dely2 + delz2*delz2); in single()
[all …]
/dports/science/lammps/lammps-stable_29Sep2021/src/YAFF/
H A Dangle_mm3.cpp59 double delx1,dely1,delz1,delx2,dely2,delz2; in compute() local
92 dely2 = x[i3][1] - x[i2][1]; in compute()
95 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in compute()
100 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in compute()
125 f1[1] = a11*dely1 + a12*dely2; in compute()
129 f3[1] = a22*dely2 + a12*dely1; in compute()
155 delx1,dely1,delz1,delx2,dely2,delz2); in compute()
264 double dely2 = x[i3][1] - x[i2][1]; in single() local
266 domain->minimum_image(delx2,dely2,delz2); in single()
267 double r2 = sqrt(delx2*delx2 + dely2*dely2 + delz2*delz2); in single()
[all …]
H A Dangle_cross.cpp63 double delx1,dely1,delz1,delx2,dely2,delz2; in compute() local
98 dely2 = x[i3][1] - x[i2][1]; in compute()
101 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in compute()
127 f3[1] = -dely2*tk1/r2; in compute()
145 vy11 = (aa11 * dely1) + (aa12 * dely2); in compute()
146 vy12 = (aa21 * dely1) + (aa22 * dely2); in compute()
155 vy21 = (aa11 * dely2) + (aa12 * dely1); in compute()
156 vy22 = (aa21 * dely2) + (aa22 * dely1); in compute()
168 f3[1] -= vy21 + b2*dely2 + vy22; in compute()
325 double dely2 = x[i3][1] - x[i2][1]; in single() local
[all …]
/dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/
H A Dangle_class2_omp.cpp85 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()
150 f1[1] = a11*dely1 + a12*dely2; in eval()
154 f3[1] = a22*dely2 + a12*dely1; in eval()
171 f3[1] -= dely2*tk1/r2; in eval()
188 vy11 = (aa11 * dely1) + (aa12 * dely2); in eval()
189 vy12 = (aa21 * dely1) + (aa22 * dely2); in eval()
198 vy21 = (aa11 * dely2) + (aa12 * dely1); in eval()
199 vy22 = (aa21 * dely2) + (aa22 * dely1); in eval()
[all …]
H A Dangle_cosine_delta_omp.cpp85 double delx1,dely1,delz1,delx2,dely2,delz2,theta,dtheta,dcostheta,tk; in eval() local
113 dely2 = x[i3].y - x[i2].y; in eval()
116 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in eval()
121 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in eval()
159 f1[1] = (a11*dely1 + a12*dely2)*c0 + (b11*dely1 + b12*dely2)*s0; in eval()
162 f3[1] = (a22*dely2 + a12*dely1)*c0 + (b22*dely2 + b12*dely1)*s0; in eval()
186 delx1,dely1,delz1,delx2,dely2,delz2,thr); in eval()
H A Dangle_cosine_omp.cpp85 double delx1,dely1,delz1,delx2,dely2,delz2; in eval() local
113 dely2 = x[i3].y - x[i2].y; in eval()
116 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in eval()
121 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in eval()
136 f1[1] = a11*dely1 + a12*dely2; in eval()
139 f3[1] = a22*dely2 + a12*dely1; in eval()
163 delx1,dely1,delz1,delx2,dely2,delz2,thr); in eval()
H A Dangle_cosine_shift_omp.cpp85 double delx1,dely1,delz1,delx2,dely2,delz2; in eval() local
113 dely2 = x[i3].y - x[i2].y; in eval()
116 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in eval()
120 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in eval()
141 f1[1] = a11*dely1 + a12*dely2; in eval()
144 f3[1] = a22*dely2 + a12*dely1; in eval()
168 delx1,dely1,delz1,delx2,dely2,delz2,thr); in eval()
H A Dangle_harmonic_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()
145 f1[1] = a11*dely1 + a12*dely2; in eval()
148 f3[1] = a22*dely2 + a12*dely1; in eval()
172 delx1,dely1,delz1,delx2,dely2,delz2,thr); in eval()
H A Dangle_table_omp.cpp86 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()
145 f1[1] = a11*dely1 + a12*dely2; in eval()
148 f3[1] = a22*dely2 + a12*dely1; in eval()
172 delx1,dely1,delz1,delx2,dely2,delz2,thr); in eval()
H A Dangle_fourier_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()
141 f1[1] = a11*dely1 + a12*dely2; in eval()
144 f3[1] = a22*dely2 + a12*dely1; in eval()
168 delx1,dely1,delz1,delx2,dely2,delz2,thr); in eval()
H A Dangle_cosine_squared_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()
141 f1[1] = a11*dely1 + a12*dely2; in eval()
144 f3[1] = a22*dely2 + a12*dely1; in eval()
168 delx1,dely1,delz1,delx2,dely2,delz2,thr); in eval()
H A Dangle_cosine_shift_exp_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()
121 c = delx1*delx2 + dely1*dely2 + delz1*delz2; in eval()
157 f1[1] = a11*dely1 + a12*dely2; in eval()
160 f3[1] = a22*dely2 + a12*dely1; in eval()
184 delx1,dely1,delz1,delx2,dely2,delz2,thr); in eval()
/dports/science/lammps/lammps-stable_29Sep2021/src/CLASS2/
H A Dangle_class2.cpp75 double delx1,dely1,delz1,delx2,dely2,delz2; in compute() local
110 dely2 = x[i3][1] - x[i2][1]; in compute()
113 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in compute()
144 f1[1] = a11*dely1 + a12*dely2; in compute()
148 f3[1] = a22*dely2 + a12*dely1; in compute()
165 f3[1] -= dely2*tk1/r2; in compute()
182 vy11 = (aa11 * dely1) + (aa12 * dely2); in compute()
183 vy12 = (aa21 * dely1) + (aa22 * dely2); in compute()
205 f3[1] -= vy21 + b2*dely2 + vy22; in compute()
441 double dely2 = x[i3][1] - x[i2][1]; in single() local
[all …]
/dports/science/lammps/lammps-stable_29Sep2021/src/MOFFF/
H A Dangle_class2_p6.cpp111 dely2 = x[i3][1] - x[i2][1]; in compute()
114 rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2; in compute()
148 f1[1] = a11*dely1 + a12*dely2; in compute()
152 f3[1] = a22*dely2 + a12*dely1; in compute()
170 f3[1] -= dely2*tk1/r2; in compute()
187 vy11 = (aa11 * dely1) + (aa12 * dely2); in compute()
188 vy12 = (aa21 * dely1) + (aa22 * dely2); in compute()
197 vy21 = (aa11 * dely2) + (aa12 * dely1); in compute()
210 f3[1] -= vy21 + b2*dely2 + vy22; in compute()
458 double dely2 = x[i3][1] - x[i2][1]; in single() local
[all …]

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