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Searched refs:R_ij (Results 1 – 16 of 16) sorted by relevance

/dports/science/openbabel/openbabel-3.1.1/src/charges/
H A Deqeq.cpp209 double EQEqCharges::GetNonperiodicJij(double J_i, double J_j, double R_ij, bool isSameAtom) in GetNonperiodicJij() argument
216 …E_0ij = exp(-a_ij * a_ij * R_ij * R_ij) * (2 * a_ij - a_ij * a_ij * R_ij - 1 / R_ij); // Orbital o… in GetNonperiodicJij()
218 return lambda * (k / 2.0) * (1.0 / R_ij + E_0ij); in GetNonperiodicJij()
225 double R_ij, a_ij, h_2, orbital = 0.0, alpha = 0.0, beta = 0.0; in GetPeriodicEwaldJij() local
244 R_ij = (dx + unitcell * uvw).length(); in GetPeriodicEwaldJij()
245 orbital += exp(-a_ij * a_ij * R_ij * R_ij) * (2 * a_ij - a_ij * a_ij * R_ij - 1 / R_ij); in GetPeriodicEwaldJij()
248 alpha += erfc(R_ij / eta) / R_ij; in GetPeriodicEwaldJij()
H A Deqeq.h62 double GetNonperiodicJij(double J_i, double J_j, double R_ij, bool isSameAtom);
/dports/science/quantum-espresso/q-e-qe-6.7.0/PWCOND/examples/example01/reference/
H A DAlwireAl.cond.out194 j i |T_ij|^2 |R_ij|^2
237 j i |T_ij|^2 |R_ij|^2
280 j i |T_ij|^2 |R_ij|^2
323 j i |T_ij|^2 |R_ij|^2
364 j i |T_ij|^2 |R_ij|^2
396 j i |T_ij|^2 |R_ij|^2
428 j i |T_ij|^2 |R_ij|^2
460 j i |T_ij|^2 |R_ij|^2
492 j i |T_ij|^2 |R_ij|^2
524 j i |T_ij|^2 |R_ij|^2
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H A DAlwireH.cond.out318 j i |T_ij|^2 |R_ij|^2
384 j i |T_ij|^2 |R_ij|^2
448 j i |T_ij|^2 |R_ij|^2
495 j i |T_ij|^2 |R_ij|^2
542 j i |T_ij|^2 |R_ij|^2
587 j i |T_ij|^2 |R_ij|^2
619 j i |T_ij|^2 |R_ij|^2
651 j i |T_ij|^2 |R_ij|^2
701 j i |T_ij|^2 |R_ij|^2
722 j i |T_ij|^2 |R_ij|^2
[all …]
/dports/math/R-cran-gmp/gmp/src/
H A Dmatrixq.cc163 mpq_t R_ij, tt; in matrix_crossp_q() local
164 mpq_init(R_ij); in matrix_crossp_q()
170 mpq_set_ui(R_ij, 0,1); in matrix_crossp_q()
177 mpq_add(R_ij, tt,R_ij); \ in matrix_crossp_q()
207 res.value[i + j*m].setValue(R_ij); in matrix_crossp_q()
210 mpq_clear(R_ij); in matrix_crossp_q()
330 mpq_t tt, R_ij; in matrix_mul_q() local
331 mpq_init(R_ij); in matrix_mul_q()
337 mpq_set_ui(R_ij, 0,1); in matrix_mul_q()
344 mpq_add(R_ij, tt,R_ij); \ in matrix_mul_q()
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H A Dmatrix.cc176 mpz_t R_ij, tt; in matrix_crossp_z() local
177 mpz_init(R_ij); in matrix_crossp_z()
192 mpz_set_ui(R_ij, 0); in matrix_crossp_z()
199 mpz_add(R_ij, tt,R_ij); \ in matrix_crossp_z()
229 res.value[i + j*m].setValue(R_ij); in matrix_crossp_z()
236 mpz_clear(R_ij); in matrix_crossp_z()
/dports/science/quantum-espresso/q-e-qe-6.7.0/PWCOND/examples/example03/reference/
H A DCOatAuwire.cond.out357 j i |T_ij|^2 |R_ij|^2
378 j i |T_ij|^2 |R_ij|^2
399 j i |T_ij|^2 |R_ij|^2
420 j i |T_ij|^2 |R_ij|^2
441 j i |T_ij|^2 |R_ij|^2
470 j i |T_ij|^2 |R_ij|^2
521 j i |T_ij|^2 |R_ij|^2
572 j i |T_ij|^2 |R_ij|^2
630 j i |T_ij|^2 |R_ij|^2
705 j i |T_ij|^2 |R_ij|^2
[all …]
H A DCOatAuwireU.cond.out367 j i |T_ij|^2 |R_ij|^2
388 j i |T_ij|^2 |R_ij|^2
409 j i |T_ij|^2 |R_ij|^2
430 j i |T_ij|^2 |R_ij|^2
451 j i |T_ij|^2 |R_ij|^2
472 j i |T_ij|^2 |R_ij|^2
493 j i |T_ij|^2 |R_ij|^2
514 j i |T_ij|^2 |R_ij|^2
541 j i |T_ij|^2 |R_ij|^2
586 j i |T_ij|^2 |R_ij|^2
[all …]
/dports/misc/py-scikit-fusion/scikit-fusion-0.2.1/skfusion/fusion/decomposition/
H A D_dfmf.py330 def transform(R_ij, Theta_i, target_obj_type, obj_type2rank, G, S, argument
342 n_targets = [R_ij[i,j][0].shape[0 if target_obj_type == i else 1] for i, j in R_ij]
346 R_to_init = {k: V[0] for k, V in R_ij.items()}
388 for r in R_ij:
390 for l in range(len(R_ij[r])):
394 tmp1 = np.dot(R_ij[i, j][l], np.dot(G[j, j], S[i, j][l].T))
408 tmp4 = np.dot(R_ij[i, j][l].T, np.dot(G[i, i], S[i, j][l]))
435 for r in R_ij:
437 for l in range(len(R_ij[r])):
440 r_err = np.linalg.norm(R_ij[r][l]-Rij_app, "fro")
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H A Ddfmf.py194 R_ij=R, Theta_i=T, target_obj_type=self.target,
/dports/misc/openmvg/openMVG-2.0/src/openMVG/multiview/
H A Dtranslation_averaging_solver_softl1.cpp44 const T* const R_ij, in operator ()()
54 ceres::AngleAxisRotatePoint(R_ij, t_i, rotated_t_i); in operator ()()
/dports/science/mbdyn/mbdyn-1.7.3/mbdyn/struct/
H A Dstrnode.h1151 Gradient<N_SIZE>& R_ij = R(i, j); in GetRCurr() local
1153 R_ij.SetValuePreserve(RCurr_ij.dGetValue()); in GetRCurr()
1154 R_ij.DerivativeResizeReset(pDofMap, in GetRCurr()
1161 R_ij.SetDerivativeGlobal(iFirstDofIndex + k, RCurr_ij.dGetDerivativeLocal(k)); in GetRCurr()
/dports/science/quantum-espresso/q-e-qe-6.7.0/PWCOND/examples/example02/reference/
H A Dpt.cond_t.out355 j i |T_ij|^2 |R_ij|^2
/dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/EDIP__MD_506186535567_002/
H A DREADME43 …e of the asymmetry the coordination introduces into the 2-body energy (V2(R_ij,Z_i) != V2(R_ji,Z_j…
/dports/science/lammps/lammps-stable_29Sep2021/doc/src/
H A Dpair_eff.rst112 fixed spins of the electrons, Z_i to the charges on the nuclei, R_ij
/dports/accessibility/orca/orca-41.1/po/
H A Dnl.po14348 #~ msgstr "R_ij oplezen"