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Searched refs:get_mat_knm (Results 1 – 8 of 8) sorted by relevance

/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/pb_s_am/pbsam/src/
H A DPhysCalcSAM.cpp27 eint += (LHN->get_mat_knm(k, n, m).real()*H->get_mat_knm(k, n, m).real() in calc_energy()
28 +LHN->get_mat_knm(k, n, m).imag()*H->get_mat_knm(k, n, m).imag()); in calc_energy()
58 inner1.set_cart(d, dLHN->get_mat_knm(k, n, m).get_cart(d).real() in calc_fI()
59 * H->get_mat_knm(k, n, m).real() + in calc_fI()
60 dLHN->get_mat_knm(k, n, m).get_cart(d).imag() in calc_fI()
61 * H->get_mat_knm(k, n, m).imag() ); in calc_fI()
62 inner2.set_cart(d, dH->get_mat_knm(k, n, m).get_cart(d).real() in calc_fI()
63 * LHN->get_mat_knm(k, n, m).real() + in calc_fI()
64 dH->get_mat_knm(k, n, m).get_cart(d).imag() in calc_fI()
65 * LHN->get_mat_knm(k, n, m).imag()); in calc_fI()
H A DSolvmat.h91 cmplx get_mat_knm(int k, int n, int m) { return mat_[k](n, m+p_); } in get_mat_knm() function
112 double real = M.get_mat_knm( k, n, m).real();
113 double imag = M.get_mat_knm( k, n, m).imag();
135 double real = get_mat_knm( k, n, m).real(); in print_kmat()
136 double imag = get_mat_knm( k, n, m).imag(); in print_kmat()
166 double real = get_mat_knm( k, n, m).real(); in print_kmat_to_file()
167 double imag = get_mat_knm( k, n, m).imag(); in print_kmat_to_file()
311 cmplx get_mat_knm(int k, int n, int m) { return mat_cmplx_[k](n,m+p_); } in get_mat_knm() function
358 double real = get_mat_knm( k, n, m).real(); in print_analytical()
359 double imag = get_mat_knm( k, n, m).imag(); in print_analytical()
H A DSolvmat.cpp198 val += get_mat_knm(k, n, m); in calc_vals()
238 val += get_mat_knm(k, n, m); in calc_vals()
826 inner += ak*LF->get_mat_knm(k, n, m); in calc_vals()
827 inner -= ak*in_k[n]*(LH->get_mat_knm(k, n, m)+LHN->get_mat_knm(k, n, m)); in calc_vals()
870 inner *= ( ak * (LH->get_mat_knm(k, n, m) + LHN->get_mat_knm(k, n, m))); in calc_vals()
916 val += get_mat_knm(k, n, m); in init()
944 inner *= prev->get_mat_knm(k, l, s); in calc_vals()
945 inner += F->get_mat_knm(k, l, s); in calc_vals()
946 inner += XH->get_mat_knm(k, l, s); in calc_vals()
1055 inner += XF->get_mat_knm(k, l, s); in calc_vals()
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H A DGradsolvmat.cpp87 val1=dH->get_mat_knm(k,n,m)*exp_ka*(n*bkn-(2*n+1)*bkn1); in calc_val_k()
88 val2=dF->get_mat_knm(k,n,m)*(2*n+1-n*eps_); in calc_val_k()
89 val3=dLF->get_mat_knm(k, n, m)*n*eps_*ak; in calc_val_k()
91 val4 = (dLH->get_mat_knm(k,n,m)+dLHN->get_mat_knm(k,n,m)) * inner * ak; in calc_val_k()
144 val1 = dH->get_mat_knm(k, n, m) * inner; in calc_val_k()
145 val2 = dF->get_mat_knm(k, n, m); in calc_val_k()
146 val3 = dLF->get_mat_knm(k, n, m) * ak; in calc_val_k()
147 val4 = (dLH->get_mat_knm(k,n,m)+dLHN->get_mat_knm(k,n,m))*ak*bin; in calc_val_k()
249 in = get_mat_knm(k,n,m)*shcalc->get_result(n,m)*((2*n+1)/(4*M_PI)); in calc_df_P()
526 in = get_mat_knm(k,n,m)*shcalc->get_result(n,m)*((2*n+1)/(4*M_PI)); in calc_dh_P()
H A DGradsolvmat.h45 Ptx get_mat_knm(int k, int n, int m) { return mat_[k](n, m+p_); } in get_mat_knm() function
166 Ptx get_mat_knm(int k, int n, int m) { return mat_cmplx_[k](n,m+p_); } in get_mat_knm() function
230 real = (get_mat_knm( k, n, m).x()).real(); in print_analytical()
231 imag = (get_mat_knm( k, n, m).x()).imag(); in print_analytical()
234 real = (get_mat_knm( k, n, m).y()).real(); in print_analytical()
235 imag = (get_mat_knm( k, n, m).y()).imag(); in print_analytical()
238 real = (get_mat_knm( k, n, m).z()).real(); in print_analytical()
239 imag = (get_mat_knm( k, n, m).z()).imag(); in print_analytical()
H A DSolver.h118 {return _H_[I]->get_mat_knm(k, n, m);} in getH_ik_nm()
120 {return _F_[I]->get_mat_knm(k, n, m);} in getF_ik_nm()
124 {return _LHN_[I]->get_mat_knm(k, n, m);} in getLHN_ik_nm()
235 { return gradT_A_[wrt][I]->get_mat_knm(k, n, m); } in get_gradT_A_Ik_nm()
H A DSolver.cpp303 hnm_curr = _H_[I]->get_mat_knm(k, n, m); in calc_converge_H()
304 hnm_prev = ((inner) ? _prevH_[I]->get_mat_knm(k, n, m) : in calc_converge_H()
305 _outerH_[I]->get_mat_knm(k, n, m)); in calc_converge_H()
476 _outerH_[I]->set_mat_knm(k, n, m, _H_[I]->get_mat_knm(k, n, m)); in update_outerH()
488 _prevH_[I]->set_mat_knm(k, n, m, _H_[I]->get_mat_knm(k, n, m)); in update_prevH()
500 _rotH_[I]->set_mat_knm(k, n, m, _H_[I]->get_mat_knm(k, n, m)); in update_rotH()
811 dH_[wrt][I]->get_mat_knm(k, n, m)); in update_outer_gradH()
823 prev_dH_[wrt][I]->set_mat_knm(k, n, m, dH_[wrt][I]->get_mat_knm(k, n, m)); in update_prev_gradH()
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/pb_s_am/pbsam/unittest/
H A DSolverUnitTest.h460 EXPECT_NEAR(emat_real[i][ct],emat.get_mat_knm(i,n,m).real(),preclim); in TEST_F()
461 EXPECT_NEAR(emat_imag[i][ct],emat.get_mat_knm(i,n,m).imag(),preclim); in TEST_F()
489 EXPECT_NEAR(lemt_real[i][ct],lemt.get_mat_knm(i,n,m).real(),preclim); in TEST_F()
490 EXPECT_NEAR(lemt_imag[i][ct],lemt.get_mat_knm(i,n,m).imag(),preclim); in TEST_F()
518 EXPECT_NEAR(hmat_real[i][ct],hmat.get_mat_knm(i,n,m).real(),preclim); in TEST_F()
519 EXPECT_NEAR(hmat_imag[i][ct],hmat.get_mat_knm(i,n,m).imag(),preclim); in TEST_F()