/dports/math/libflame/libflame-5.2.0/src/base/flamec/blis/fused/ |
H A D | bl1_axpyv2b.c | 72 psi1 = y; in bl1_daxpyv2b() 84 *psi1 = *psi1 + temp1; in bl1_daxpyv2b() 88 psi1 += inc_y; in bl1_daxpyv2b() 115 psi1 += 4; in bl1_daxpyv2b() 158 psi1 = y; 193 *psi1 = *psi1 + temp1; 230 psi1 = y; in bl1_zaxpyv2b() 263 psi1 += 1; in bl1_zaxpyv2b() 306 psi1 = y; 327 psi1->real = psi1->real + temp.real; [all …]
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H A D | bl1_axmyv2.c | 73 psi1 = y; in bl1_daxmyv2() 86 psi1 += inc_y; in bl1_daxmyv2() 116 psi1 += 4; in bl1_daxmyv2() 133 psi1 += inc_y; in bl1_daxmyv2() 168 psi1 = y; 184 psi1 += inc_y; 230 psi1 += inc_y; 271 psi1 = y; in bl1_zaxmyv2() 297 psi1 += inc_y; in bl1_zaxmyv2() 326 psi1 += 1; in bl1_zaxmyv2() [all …]
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H A D | bl1_axpyv3b.c | 47 double* restrict psi1; in bl1_daxpyv3b() local 81 psi1 = y; in bl1_daxpyv3b() 97 psi1 += inc_y; in bl1_daxpyv3b() 127 psi1 += 4; in bl1_daxpyv3b() 147 psi1 += inc_y; in bl1_daxpyv3b() 155 double* restrict psi1; 170 psi1 = y; 181 double psi1_c = *psi1; 189 *psi1 = psi1_c + temp1; 194 psi1 += twoinc_y; [all …]
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H A D | bl1_dotaxmyv2.c | 79 psi1 = y; in bl1_ddotaxmyv2() 97 psi1 += inc_y; in bl1_ddotaxmyv2() 122 psi1 += 2; in bl1_ddotaxmyv2() 144 psi1 += inc_y; in bl1_ddotaxmyv2() 186 psi1 = y; 205 psi1 += inc_y; 253 psi1 += inc_y; 309 psi1 = y; in bl1_zdotaxmyv2() 357 psi1 += 1; in bl1_zdotaxmyv2() 385 psi1 = y; [all …]
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/dports/science/clhep/2.4.1.0/CLHEP/Vector/src/ |
H A D | RotationE.cc | 41 double sinPsi = std::sin( psi1 ), cosPsi = std::cos( psi1 ); in set() 61 set (phi1, theta1, psi1); in HepRotation() 153 if (psi1 > 0) { in correctByPi() 154 psi1 -= CLHEP::pi; in correctByPi() 156 psi1 += CLHEP::pi; in correctByPi() 187 if (w[0] > 0 && psi1 < 0) correctByPi ( psi1, phi1 ); in correctPsiPhi() 188 if (w[0] < 0 && psi1 > 0) correctByPi ( psi1, phi1 ); in correctPsiPhi() 195 if (w[2] > 0 && std::abs(psi1) > CLHEP::halfpi) correctByPi ( psi1, phi1 ); in correctPsiPhi() 196 if (w[2] < 0 && std::abs(psi1) < CLHEP::halfpi) correctByPi ( psi1, phi1 ); in correctPsiPhi() 210 double phi1, theta1, psi1; in eulerAngles() local [all …]
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/dports/science/madness/madness-ebb3fd7/src/madness/mra/ |
H A D | testqm.cc | 89 psi1.broaden(); in chin_chen() 90 psi1.broaden(); in chin_chen() 91 psi1 = apply_1d_realspace_push(*G, psi1, 0); in chin_chen() 92 psi1.sum_down(); in chin_chen() 93 psi1 = expVtilde*psi1; in chin_chen() 94 psi1 = apply_1d_realspace_push(*G, psi1, 0); in chin_chen() 96 psi1 = expV*psi1; in chin_chen() 99 return psi1; in chin_chen() 112 psi1 = expV*psi1; in trotter() 113 psi1 = apply_1d_realspace_push(*G, psi1, 0); in trotter() [all …]
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/dports/science/ergo/ergo-3.8/source/integrals/ |
H A D | integrals_2el_single.cc | 54 const DistributionSpecStruct* psi1, in do_2e_integral_using_symb_info_h() argument 59 ergo_real alpha1 = psi1->exponent; in do_2e_integral_using_symb_info_h() 69 n1 += psi1->monomialInts[i]; in do_2e_integral_using_symb_info_h() 72 int n1x = psi1->monomialInts[0]; in do_2e_integral_using_symb_info_h() 73 int n1y = psi1->monomialInts[1]; in do_2e_integral_using_symb_info_h() 74 int n1z = psi1->monomialInts[2]; in do_2e_integral_using_symb_info_h() 82 ergo_real dx0 = psi2->centerCoords[0] - psi1->centerCoords[0]; in do_2e_integral_using_symb_info_h() 83 ergo_real dx1 = psi2->centerCoords[1] - psi1->centerCoords[1]; in do_2e_integral_using_symb_info_h() 84 ergo_real dx2 = psi2->centerCoords[2] - psi1->centerCoords[2]; in do_2e_integral_using_symb_info_h() 126 const DistributionSpecStruct* psi1, in do_2e_integral_using_symb_info() argument [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_psi/ |
H A D | paw_psi2.F | 121 paw_psi_ptr=psi1(1) 287 paw_psi_ptr=psi1(1) 407 paw_psi_ptr=psi1(1) 506 paw_psi_ptr=psi1(1) 543 paw_psi_ptr=psi1(1) 578 paw_psi_ptr=psi1(1) 625 paw_psi_ptr=psi1(1) 789 paw_psi_ptr = psi1(1) 823 > dcpl_mb(psi1(1)),1, 2111 call paw_ovlp_S(nemax,dcpl_mb(psi1(1)),dcpl_mb(psi1(1))) [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_psi/ |
H A D | paw_psi2.F | 121 paw_psi_ptr=psi1(1) 287 paw_psi_ptr=psi1(1) 407 paw_psi_ptr=psi1(1) 506 paw_psi_ptr=psi1(1) 543 paw_psi_ptr=psi1(1) 578 paw_psi_ptr=psi1(1) 625 paw_psi_ptr=psi1(1) 789 paw_psi_ptr = psi1(1) 823 > dcpl_mb(psi1(1)),1, 2111 call paw_ovlp_S(nemax,dcpl_mb(psi1(1)),dcpl_mb(psi1(1))) [all …]
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/dports/math/libflame/libflame-5.2.0/src/lapack/red/bidiagut/u/flamec/ |
H A D | FLA_Fused_Ahx_Axpy_Ax_opt_var1.c | 181 psi1 ); in FLA_Fused_Ahx_Axpy_Ax_ops_var1() 224 double* restrict psi1; in FLA_Fused_Ahx_Axpy_Ax_opd_var1() local 247 psi1 = buff_y; in FLA_Fused_Ahx_Axpy_Ax_opd_var1() 268 psi1, in FLA_Fused_Ahx_Axpy_Ax_opd_var1() 285 psi1 += stepinc_y; in FLA_Fused_Ahx_Axpy_Ax_opd_var1() 302 bl1_dadd3( psi1, &rho1, psi1 ); in FLA_Fused_Ahx_Axpy_Ax_opd_var1() 362 psi1 ); in FLA_Fused_Ahx_Axpy_Ax_opc_var1() 433 psi1 = buff_y; in FLA_Fused_Ahx_Axpy_Ax_opz_var1() 454 psi1, in FLA_Fused_Ahx_Axpy_Ax_opz_var1() 475 psi1 += twoinc_y; in FLA_Fused_Ahx_Axpy_Ax_opz_var1() [all …]
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H A D | FLA_Fused_Gerc2_Ahx_Axpy_Ax_opt_var1.c | 240 psi1 ); in FLA_Fused_Gerc2_Ahx_Axpy_Ax_ops_var1() 289 double* restrict psi1; in FLA_Fused_Gerc2_Ahx_Axpy_Ax_opd_var1() local 318 psi1 = buff_y; in FLA_Fused_Gerc2_Ahx_Axpy_Ax_opd_var1() 363 psi1, in FLA_Fused_Gerc2_Ahx_Axpy_Ax_opd_var1() 380 psi1 += twoinc_y; in FLA_Fused_Gerc2_Ahx_Axpy_Ax_opd_var1() 408 bl1_dadd3( psi1, &rho1, psi1 ); in FLA_Fused_Gerc2_Ahx_Axpy_Ax_opd_var1() 497 psi1 ); in FLA_Fused_Gerc2_Ahx_Axpy_Ax_opc_var1() 580 psi1 = buff_y; in FLA_Fused_Gerc2_Ahx_Axpy_Ax_opz_var1() 622 psi1, in FLA_Fused_Gerc2_Ahx_Axpy_Ax_opz_var1() 643 psi1 += twoinc_y; in FLA_Fused_Gerc2_Ahx_Axpy_Ax_opz_var1() [all …]
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/dports/math/blis/blis-0.8.1/ref_kernels/1/ |
H A D | bli_addv_ref.c | 52 ctype* restrict psi1 = y; \ 61 PASTEMAC(ch,addjs)( chi1[i], psi1[i] ); \ 68 PASTEMAC(ch,addjs)( *chi1, *psi1 ); \ 71 psi1 += incy; \ 82 PASTEMAC(ch,adds)( chi1[i], psi1[i] ); \ 89 PASTEMAC(ch,adds)( *chi1, *psi1 ); \ 92 psi1 += incy; \
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H A D | bli_axpyv_ref.c | 75 ctype* restrict psi1 = y; \ 85 psi1[i] = fma( *alpha, chi1[i], psi1[i] ); \ 92 PASTEMAC(ch,axpyjs)( *alpha, *chi1, *psi1 ); \ 95 psi1 += incy; \ 107 psi1[i] = fma( *alpha, chi1[i], psi1[i] ); \ 114 PASTEMAC(ch,axpys)( *alpha, *chi1, *psi1 ); \ 117 psi1 += incy; \
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/dports/science/octopus/octopus-10.5/share/opencl/ |
H A D | vpsi.cl | 52 const double2 psi1 = psi[ip*ldpsi + ist]; 56 vpsi[ip*ldvpsi + ist] += vi1*psi1 + double2(vi3*psi2.x - vi4*psi2.y, vi3*psi2.y + vi4*psi2.x); 57 … vpsi[ip*ldvpsi + ist + 1] += vi2*psi2 + double2(vi3*psi1.x + vi4*psi1.y, vi3*psi1.y - vi4*psi1.x); 59 vpsi[ip*ldvpsi + ist] += vi1*psi1 + (double2)(vi3*psi2.x - vi4*psi2.y, vi3*psi2.y + vi4*psi2.x); 60 …vpsi[ip*ldvpsi + ist + 1] += vi2*psi2 + (double2)(vi3*psi1.x + vi4*psi1.y, vi3*psi1.y - vi4*psi1.x…
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/psi/ |
H A D | psi.F | 401 psi_ptr=psi1(1) 532 psi_ptr=psi1(1) 1556 psi_ptr=psi1(1) 1730 psi_ptr=psi1(1) 1875 psi_ptr=psi1(1) 1993 psi_ptr=psi1(1) 2092 psi_ptr=psi1(1) 2129 psi_ptr=psi1(1) 2164 psi_ptr=psi1(1) 6128 ptr = psi1(1) [all …]
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H A D | orthocheck.f | 11 subroutine OrthoCheck(ispin,ne,psi1) argument 14 double complex psi1(*) local 56 call Pack_cc_dot(1,psi1(1+(i-1)*npack1), 57 > psi1(1+(j-1)*npack1), 147 subroutine OrthoCheck_geo(ispin,ne,psi1) argument 150 double complex psi1(*) local 185 call Pack_cc_dot(1,psi1(1+(i-1)*npack1), 186 > psi1(1+(j-1)*npack1),
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/psi/ |
H A D | orthocheck.f | 11 subroutine OrthoCheck(ispin,ne,psi1) argument 14 double complex psi1(*) local 56 call Pack_cc_dot(1,psi1(1+(i-1)*npack1), 57 > psi1(1+(j-1)*npack1), 147 subroutine OrthoCheck_geo(ispin,ne,psi1) argument 150 double complex psi1(*) local 185 call Pack_cc_dot(1,psi1(1+(i-1)*npack1), 186 > psi1(1+(j-1)*npack1),
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/dports/science/py-GPy/GPy-1.10.0/GPy/inference/latent_function_inference/ |
H A D | var_dtc.py | 105 if psi1 is None: 106 psi1 = kern.psi1(Z, X) 124 if psi1 is None: 125 psi1 = kern.K(X, Z) 127 tmp = psi1 * (np.sqrt(precision)) 129 tmp = psi1 * (np.sqrt(precision)) 138 tmp, _ = dtrtrs(Lm, psi1.T, lower=1, trans=0) 160 psi1, het_noise, uncertain_inputs) 176 psi0, psi1, precision, 202 psi1V = np.dot(Y.T*precision, psi1).T [all …]
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/dports/math/blis/blis-0.8.1/kernels/penryn/1f/ |
H A D | bli_dotaxpyv_penryn_int.c | 71 double* restrict psi1; in bli_ddotaxpyv_penryn_int() local 146 psi1 = y_cast; in bli_ddotaxpyv_penryn_int() 152 psi1c = *psi1; in bli_ddotaxpyv_penryn_int() 158 psi1 += incy; in bli_ddotaxpyv_penryn_int() 169 y1v.v = _mm_load_pd( ( double* )psi1 ); in bli_ddotaxpyv_penryn_int() 183 psi1 += 2; in bli_ddotaxpyv_penryn_int() 192 psi1c = *psi1; in bli_ddotaxpyv_penryn_int() 198 psi1 += incy; in bli_ddotaxpyv_penryn_int()
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cpsd/ |
H A D | inner_loop.F | 24 > psi1,psi2,dn, 35 complex*16 psi1(npack1,nemax) 318 call Pack_c_nCopy(1,nemax,psi2,psi1) 345 call Pack_c_Copy0(1,psi1(1,n),psi_r(1,n)) 368 call nwpw_meta_gga_gen_tau(ispin,ne,psi1) 511 > call psi_H(ispin,ne,psi1,psi_r, 518 > call psi_Hv4(ispin,ne,psi1,psi_r, 534 call Pack_cc_Sum2(1,psi1(1,n),psi2(1,n)) 570 > psi1, 592 call psp_overlap_S(ispin,ne,psi1,psi_r) [all …]
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H A D | psi_lmbda_paw.f | 10 > psi1,psi2, 15 complex*16 psi1(npack1,nemax) 60 call Dneall_ffm_Multiply(ms,psi1,psi2,npack1,tmp(B)) 61 call Dneall_ffm_sym_Multiply(ms,psi1,psi1,npack1,tmp(C)) 65 call psp_add_paw_extra_overlap2(ms,psi1,psi2,tmp(B)) 66 call psp_add_paw_extra_overlap1(ms,psi1,tmp(C)) 85 call Dneall_f_Sortho(ms,psi2,psi1,npack1) 90 > psi1,npack1,
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H A D | inner_loop_md.F | 21 > psi0,psi1,psi2,dn, 33 complex*16 psi1(npack1,nemaxq) 262 call Pack_c_nCopy(1,nemaxq,psi1,psi0) 263 call Pack_c_nCopy(1,nemaxq,psi2,psi1) 289 call Pack_c_Copy0(1,psi1(1,n),psi_r(1,n)) 304 call nwpw_meta_gga_gen_tau(ispin,neq,psi1) 438 > call psi_H(ispin,neq,psi1,psi_r, 445 > call psi_Hv4(ispin,neq,psi1,psi_r, 485 > psi1, 580 call psp_overlap_S(ispin,neq,psi1,psi_r) [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/cpsd/ |
H A D | chi_lmbda.f | 8 > psi1,psi2, 14 complex*16 psi1(npack1,ispin) 50 call Pack_cc_dot(1,psi2(1,ms),psi1(1,ms),s21) 51 call Pack_cc_dot(1,psi1(1,ms),psi1(1,ms),s11) 86 call Pack_cc_daxpy(1,alpha,psi1(1,ms),psi2(1,ms))
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/ofpw/cpsd/ |
H A D | chi_lmbda.f | 8 > psi1,psi2, 14 complex*16 psi1(npack1,ispin) 50 call Pack_cc_dot(1,psi2(1,ms),psi1(1,ms),s21) 51 call Pack_cc_dot(1,psi1(1,ms),psi1(1,ms),s11) 86 call Pack_cc_daxpy(1,alpha,psi1(1,ms),psi2(1,ms))
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cpsd/ |
H A D | psi_lmbda_paw.f | 10 > psi1,psi2, argument 15 complex*16 psi1(npack1,nemax) local 60 call Dneall_ffm_Multiply(ms,psi1,psi2,npack1,tmp(B)) 61 call Dneall_ffm_sym_Multiply(ms,psi1,psi1,npack1,tmp(C)) 65 call psp_add_paw_extra_overlap2(ms,psi1,psi2,tmp(B)) 66 call psp_add_paw_extra_overlap1(ms,psi1,tmp(C)) 85 call Dneall_f_Sortho(ms,psi2,psi1,npack1) 90 > psi1,npack1,
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