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/dports/math/libflame/libflame-5.2.0/src/base/flamec/blis/fused/
H A Dbl1_axpyv2b.c72 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 …]
H A Dbl1_axmyv2.c73 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 …]
H A Dbl1_axpyv3b.c47 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 …]
H A Dbl1_dotaxmyv2.c79 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 …]
/dports/science/clhep/2.4.1.0/CLHEP/Vector/src/
H A DRotationE.cc41 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 …]
/dports/science/madness/madness-ebb3fd7/src/madness/mra/
H A Dtestqm.cc89 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 …]
/dports/science/ergo/ergo-3.8/source/integrals/
H A Dintegrals_2el_single.cc54 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
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_psi/
H A Dpaw_psi2.F121 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_psi/
H A Dpaw_psi2.F121 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 …]
/dports/math/libflame/libflame-5.2.0/src/lapack/red/bidiagut/u/flamec/
H A DFLA_Fused_Ahx_Axpy_Ax_opt_var1.c181 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 …]
H A DFLA_Fused_Gerc2_Ahx_Axpy_Ax_opt_var1.c240 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 …]
/dports/math/blis/blis-0.8.1/ref_kernels/1/
H A Dbli_addv_ref.c52 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; \
H A Dbli_axpyv_ref.c75 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; \
/dports/science/octopus/octopus-10.5/share/opencl/
H A Dvpsi.cl52 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…
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/psi/
H A Dpsi.F401 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 …]
H A Dorthocheck.f11 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),
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/psi/
H A Dorthocheck.f11 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),
/dports/science/py-GPy/GPy-1.10.0/GPy/inference/latent_function_inference/
H A Dvar_dtc.py105 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 …]
/dports/math/blis/blis-0.8.1/kernels/penryn/1f/
H A Dbli_dotaxpyv_penryn_int.c71 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()
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cpsd/
H A Dinner_loop.F24 > 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 …]
H A Dpsi_lmbda_paw.f10 > 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,
H A Dinner_loop_md.F21 > 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/cpsd/
H A Dchi_lmbda.f8 > 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))
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/ofpw/cpsd/
H A Dchi_lmbda.f8 > 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))
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cpsd/
H A Dpsi_lmbda_paw.f10 > 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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