/dports/science/openmx/openmx3.8/source/ |
H A D | neb_check.c | 29 char *s_vec[40]; in neb_check() local 38 s_vec[i]="NOMD"; i_vec[i]=0; i++; in neb_check() 39 s_vec[i]="NVE" ; i_vec[i]=1; i++; in neb_check() 41 s_vec[i]="OPT"; i_vec[i]=3; i++; in neb_check() 42 s_vec[i]="EF"; i_vec[i]=4; i++; in neb_check() 43 s_vec[i]="BFGS"; i_vec[i]=5; i++; in neb_check() 45 s_vec[i]="DIIS"; i_vec[i]=7; i++; in neb_check() 47 s_vec[i]="NVT_NH"; i_vec[i]=9; i++; in neb_check() 48 s_vec[i]="Opt_LBFGS"; i_vec[i]=10; i++; in neb_check() 50 s_vec[i]="EvsLC"; i_vec[i]=12; i++; in neb_check() [all …]
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H A D | Input_std.c | 190 s_vec[0]="OFF"; s_vec[1]="Atoms"; s_vec[2]="Species"; s_vec[3]="Atoms2"; s_vec[4]="Species2"; in Input_std() 591 s_vec[0]="Recursion"; s_vec[1]="Cluster"; s_vec[2]="Band"; in Input_std() 592 s_vec[3]="NEGF"; s_vec[4]="DC"; s_vec[5]="GDC"; in Input_std() 620 s_vec[0]="dstevx"; s_vec[1]="dstegr"; s_vec[2]="dstedc"; s_vec[3]="dsteqr"; in Input_std() 668 s_vec[0]="LDA"; s_vec[1]="LSDA-CA"; s_vec[2]="LSDA-PW"; s_vec[3]="GGA-PBE";s_vec[4]="EXX-TEST"; in Input_std() 672 s_vec[0]="Off"; s_vec[1]="On"; s_vec[2]="NC"; in Input_std() 697 s_vec[0]="off"; s_vec[1]="on"; s_vec[2]="on2"; in Input_std() 1035 s_vec[0]="off"; s_vec[1]="on1"; s_vec[2]="on2"; s_vec[3]="on3"; s_vec[4]="on4"; in Input_std() 1190 s_vec[0]="Ang"; s_vec[1]="AU"; s_vec[2]="FRAC"; in Input_std() 2360 s_vec[0]="off"; s_vec[1]="on1"; s_vec[2]="on2"; s_vec[3]="on3"; s_vec[4]="on4"; in Input_std() [all …]
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H A D | TRAN_Input_std.c | 42 char *s_vec[20]; in TRAN_Input_std() local 152 s_vec[0]="FD"; s_vec[1]="FFT"; s_vec[2]="FDG"; in TRAN_Input_std() 155 input_string2int("NEGF.Poisson.Solver", &TRAN_Poisson_flag, 3, s_vec,i_vec); in TRAN_Input_std() 174 s_vec[0]="CF"; s_vec[1]="OLD"; in TRAN_Input_std() 176 input_string2int("NEGF.Integration", &TRAN_integration, 2, s_vec,i_vec); in TRAN_Input_std() 206 s_vec[i] = "OFF"; i_vec[i] = 0; i++; in TRAN_Input_std() 207 s_vec[i] = "ON"; i_vec[i] = 1; i++; in TRAN_Input_std() 208 s_vec[i] = "Periodic"; i_vec[i] = 2; i++; in TRAN_Input_std() 210 input_string2int("NEGF.tran.SCF.skip", &TRAN_SCF_skip, i, s_vec, i_vec); in TRAN_Input_std()
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H A D | TRAN_Apply_Bias2e.c | 104 char *s_vec[20]; in TRAN_Apply_Bias2e() local 105 s_vec[0] = "left"; in TRAN_Apply_Bias2e() 106 s_vec[1] = "right"; in TRAN_Apply_Bias2e() 110 voltage*TRAN_eV2Hartree,s_vec[side],(*ChemP)*TRAN_eV2Hartree); in TRAN_Apply_Bias2e()
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H A D | check_lead.c | 505 char *s_vec[20]; in Input_NEGF() local 613 s_vec[0]="Recursion"; s_vec[1]="Cluster"; s_vec[2]="Band"; in Input_NEGF() 614 s_vec[3]="NEGF"; s_vec[4]="DC"; s_vec[5]="GDC"; in Input_NEGF() 615 s_vec[6]="Cluster-DIIS"; s_vec[7]="Krylov"; in Input_NEGF() 621 input_string2int("scf.EigenvalueSolver", &Solver, 8, s_vec,i_vec); in Input_NEGF() 713 s_vec[0]="Ang"; s_vec[1]="AU"; in Input_NEGF() 716 &coordinates_unit,2,s_vec,i_vec); in Input_NEGF() 842 s_vec[0]="Ang"; s_vec[1]="AU"; in Input_NEGF() 844 input_string2int("Atoms.UnitVectors.Unit",&unitvector_unit,2,s_vec,i_vec); in Input_NEGF()
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/dports/biology/ncbi-toolkit/ncbi/tools/ |
H A D | csim.c | 963 s_vec->RR[j] = s_vec->SS[j] = (plist->mm) + 1; in locate() 965 s_vec->RR[j] = s_vec->SS[j] = j; in locate() 1011 { s_vec->HH[i] = s_vec->CC[(plist->n1)]; in locate() 1012 s_vec->II[i] = s_vec->RR[(plist->n1)]; in locate() 1013 s_vec->JJ[i] = s_vec->EE[(plist->n1)]; in locate() 1065 s_vec->HH[(plist->m1)] = s_vec->CC[(plist->n1)]; in locate() 1066 s_vec->II[(plist->m1)] = s_vec->RR[(plist->n1)]; in locate() 1067 s_vec->JJ[(plist->m1)] = s_vec->EE[(plist->n1)]; in locate() 1132 s_vec->CC[(plist->n1)] = s_vec->HH[(plist->m1)]; in locate() 1133 s_vec->RR[(plist->n1)] = s_vec->II[(plist->m1)]; in locate() [all …]
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/dports/math/octave/octave-6.4.0/liboctave/numeric/ |
H A D | svd.cc | 75 m, n, tmp_data, m1, s_vec, u, m1, vt, \ 84 m1, s_vec, CMPLX_ARG (u), m1, \ 95 double *tmp_data, F77_INT m1, double *s_vec, in gesvd() argument 112 float *tmp_data, F77_INT m1, float *s_vec, in gesvd() argument 171 m, n, tmp_data, m1, s_vec, u, m1, vt, nrow_vt1, \ 178 s_vec, CMPLX_ARG (u), m1, \ 188 F77_INT m1, double *s_vec, double *u, double *vt, in gesdd() argument 250 float *s_vec, FloatComplex *u, in gesdd() argument 358 DM_P *s_vec = sigma.fortran_vec (); in svd() local 375 gesvd (jobu, jobv, m, n, tmp_data, m1, s_vec, u, vt, nrow_vt1, in svd() [all …]
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/dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/VMC/ |
H A D | VMCLinearOpt.cpp | 833 g_stats[0] = s_vec[0]; in fillOverlapHamiltonianMatrices() 834 g_stats[1] = s_vec[1]; in fillOverlapHamiltonianMatrices() 835 g_stats[2] = s_vec[2]; in fillOverlapHamiltonianMatrices() 836 g_stats[3] = s_vec[3]; in fillOverlapHamiltonianMatrices() 837 g_stats[4] = s_vec[4]; in fillOverlapHamiltonianMatrices() 903 s_vec[0] += E_L * wW; in fillComponentMatrices() 904 s_vec[1] += E_L2 * wW; in fillComponentMatrices() 905 s_vec[2] += E_L2 * E_L2 * wW; in fillComponentMatrices() 906 s_vec[3] += wW; in fillComponentMatrices() 907 s_vec[4] += 1; in fillComponentMatrices() [all …]
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H A D | VMCLinearOpt.h | 61 for (int i = 0; i < s_vec.size(); i++) in clearComponentMatrices() 62 s_vec[i] = 0; in clearComponentMatrices() 90 std::vector<RealType> s_vec; variable 108 s_vec.resize(5, 0); in resizeForOpt()
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/dports/net/norm/norm-1.5r6/src/common/ |
H A D | normEncoderMDP.cpp | 220 s_vec(NULL), o_vec(NULL), scratch(NULL) in NormDecoderMDP() 253 if(!(s_vec = new unsigned char*[npar])) in Init() 263 if(!(s_vec[i] = new unsigned char[vecSizeMax])) in Init() 316 if(s_vec) in Destroy() 319 if (s_vec[i]) delete[] s_vec[i]; in Destroy() 320 delete[] s_vec; in Destroy() 321 s_vec = NULL; in Destroy() 351 unsigned char* synVec = s_vec[i]; in Decode() 386 unsigned char* S = s_vec[j]; in Decode()
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/dports/x11/babl/babl-0.1.88/extensions/ |
H A D | sse2-int8.c | 39 const __v4sf *s_vec; in conv_yF_y8() local 57 s_vec = (__v4sf *)src; in conv_yF_y8() 75 yyyy0 = *s_vec++ * byte_fill + half; in conv_yF_y8() 79 yyyy1 = *s_vec++ * byte_fill + half; in conv_yF_y8() 85 yyyy2 = *s_vec++ * byte_fill + half; in conv_yF_y8() 89 yyyy3 = *s_vec++ * byte_fill + half; in conv_yF_y8() 109 yyyy0 = *s_vec++ * byte_fill + half; in conv_yF_y8() 119 src = (float *)s_vec; in conv_yF_y8()
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H A D | sse-half.c | 38 const uint64_t *s_vec; in conv_yHalf_yF() local 43 s_vec = (const uint64_t *)src; in conv_yHalf_yF() 48 __m128i in_val = _mm_insert_epi64((__m128i)_mm_setzero_ps(), *s_vec++, 0); in conv_yHalf_yF() 54 src = (const uint16_t *)s_vec; in conv_yHalf_yF() 99 const __v4sf *s_vec; in conv_yF_yHalf() local 104 s_vec = (const __v4sf *)src; in conv_yF_yHalf() 109 __m128 in_val = _mm_loadu_ps((float *)s_vec++); in conv_yF_yHalf() 115 src = (const float *)s_vec; in conv_yF_yHalf()
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H A D | sse4-int8.c | 41 const uint32_t *s_vec; in conv_y8_yF() local 46 s_vec = (const uint32_t *)src; in conv_y8_yF() 53 in_val = _mm_insert_epi32 ((__m128i)_mm_setzero_ps(), *s_vec++, 0); in conv_y8_yF() 60 src = (const uint8_t *)s_vec; in conv_y8_yF()
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/dports/science/siconos/siconos-4.4.0/numerics/src/Relay/ |
H A D | relay_avi_caoferris.c | 88 double* s_vec = (double *)calloc(s, sizeof(double)); in relay_avi_caoferris() local 91 *info = avi_caoferris_stage3(&lcplike_pb, u_vec, s_vec, d_vec, n, A, options); in relay_avi_caoferris() 96 for(unsigned i = 0; i<n; ++i) z[i] = s_vec[A[i]-1] + problem->lb[i]; in relay_avi_caoferris() 99 free(s_vec); in relay_avi_caoferris()
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/dports/math/py-pystan/pystan-2.19.0.0/pystan/stan/lib/stan_math/stan/math/prim/scal/prob/ |
H A D | scaled_inv_chi_square_rng.hpp | 49 scalar_seq_view<T_scale> s_vec(s); in scaled_inv_chi_square_rng() local 56 output[n] = nu_vec[n] * s_vec[n] * s_vec[n] / chi_square_rng(); in scaled_inv_chi_square_rng()
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/dports/math/stanmath/math-4.2.0/stan/math/prim/prob/ |
H A D | scaled_inv_chi_square_rng.hpp | 48 scalar_seq_view<T_scale> s_vec(s_ref); in scaled_inv_chi_square_rng() local 55 output[n] = nu_vec[n] * s_vec[n] * s_vec[n] / chi_square_rng(); in scaled_inv_chi_square_rng()
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/dports/science/dakota/dakota-6.13.0-release-public.src-UI/packages/external/OPTPP/src/Base/ |
H A D | lbfgs.c | 298 real *s_vec, /* I x_new - x_old */ in Update_lbfgs() argument 330 s_dot_y = ddot (n, s_vec, 1, y_vec, 1); in Update_lbfgs() 331 multbv_ (&n, &t, s_vec, Bs_vec, NUPDT, CMPS, CMPY); in Update_lbfgs() 332 sBs = ddot (n, s_vec, 1, Bs_vec, 1); in Update_lbfgs() 339 s_dot_y = ddot (n, s_vec, 1, y_vec, 1); in Update_lbfgs() 351 updtbh_ (&n, &t, s_vec, y_vec, NUPDT, CMPS, CMPY); in Update_lbfgs()
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/arnoldi/ |
H A D | arnoldi_methods.F | 558 ${type_nametype1}$, ALLOCATABLE, DIMENSION(:) :: h_vec, s_vec, v_vec, w_vec 569 ALLOCATE (s_vec(control%max_iter)); ALLOCATE (h_vec(control%max_iter)) 620 DEALLOCATE (v_vec, w_vec, h_vec, s_vec) 677 ${type_nametype1}$, DIMENSION(:) :: h_vec, s_vec, f_vec, w_vec 689 h_vec = ${nametype_zero}$; f_vec = ${nametype_zero}$; s_vec = ${nametype_zero}$ 714 SUBROUTINE DGKS_ortho_${nametype1}$ (h_vec, f_vec, s_vec, nrow_local, j, & 716 ${type_nametype1}$, DIMENSION(:) :: h_vec, s_vec, f_vec 730 CALL mp_sum(s_vec(1:j), pcol_group) 733 h_vec(1:j) = h_vec(1:j) + s_vec(1:j) 876 ${type_nametype1}$, ALLOCATABLE, DIMENSION(:) :: h_vec, s_vec, v_vec, w_vec [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/arnoldi/ |
H A D | arnoldi_methods.F | 559 ${type_nametype1}$, ALLOCATABLE, DIMENSION(:) :: h_vec, s_vec, v_vec, w_vec 570 ALLOCATE(s_vec(control%max_iter)); ALLOCATE(h_vec(control%max_iter)) 621 DEALLOCATE(v_vec, w_vec, h_vec, s_vec) 678 ${type_nametype1}$, DIMENSION(:) :: h_vec, s_vec, f_vec, w_vec 690 h_vec=${nametype_zero}$; f_vec=${nametype_zero}$; s_vec=${nametype_zero}$ 715 SUBROUTINE DGKS_ortho_${nametype1}$(h_vec, f_vec, s_vec, nrow_local, j, & 717 ${type_nametype1}$, DIMENSION(:) :: h_vec, s_vec, f_vec 731 CALL mp_sum(s_vec(1:j), pcol_group) 734 h_vec(1:j)=h_vec(1:j)+s_vec(1:j) 877 ${type_nametype1}$, ALLOCATABLE, DIMENSION(:) :: h_vec, s_vec, v_vec, w_vec [all …]
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/dports/textproc/R-cran-yaml/yaml/src/ |
H A D | r_emit.c | 263 Ryaml_yoink(s_vec, index) in Ryaml_yoink() argument 264 SEXP s_vec; in Ryaml_yoink() 270 type = TYPEOF(s_vec); 276 LOGICAL(s_tmp)[0] = LOGICAL(s_vec)[index]; 280 s_levels = GET_LEVELS(s_vec); 281 level_idx = INTEGER(s_vec)[index]; 290 INTEGER(s_tmp)[0] = INTEGER(s_vec)[index]; 294 REAL(s_tmp)[0] = REAL(s_vec)[index]; 297 COMPLEX(s_tmp)[0] = COMPLEX(s_vec)[index]; 300 SET_STRING_ELT(s_tmp, 0, STRING_ELT(s_vec, index)); [all …]
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/dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxpreprocess/ |
H A D | readrot.cpp | 62 static char s_vec[STRLEN]; variable 122 setStringEntry(inp, buf, s_vec, "1.0 0.0 0.0"); in read_rotparams() 123 string2dvec(s_vec, vec); in read_rotparams() 143 setStringEntry(inp, buf, s_vec, "0.0 0.0 0.0"); in read_rotparams() 148 string2dvec(s_vec, vec); in read_rotparams()
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/dports/biology/gemma/GEMMA-0.98.3/src/ |
H A D | vc.h | 83 void WriteFile_qs(const gsl_vector *s_vec, const gsl_vector *q_vec, 94 const gsl_vector *s_vec, const double df, vector<double> &v_pve, 127 const gsl_vector *z, const gsl_vector *s_vec,
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/symmetry/ |
H A D | spgen.F | 14 $ group_name,max_gen,s_vec,oprint) 32 double precision s_vec(max_gen,3) 1476 s_vec(i,j)=tranv(ispnt,j) 1480 s_vec(i,j)=0.00d+00
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/symmetry/ |
H A D | spgen.F | 14 $ group_name,max_gen,s_vec,oprint) 32 double precision s_vec(max_gen,3) 1476 s_vec(i,j)=tranv(ispnt,j) 1480 s_vec(i,j)=0.00d+00
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/dports/databases/rocksdb/rocksdb-6.26.1/trace_replay/ |
H A D | trace_replay.cc | 58 std::vector<std::string> s_vec; in ParseTraceHeader() local 63 s_vec.push_back(header.payload.substr(begin, end - begin)); in ParseTraceHeader() 68 assert(s_vec.size() == 3); in ParseTraceHeader() 69 assert(s_vec[1].find("Trace Version: ") != std::string::npos); in ParseTraceHeader() 70 t_v_str = s_vec[1].substr(15); in ParseTraceHeader() 71 assert(s_vec[2].find("RocksDB Version: ") != std::string::npos); in ParseTraceHeader() 72 db_v_str = s_vec[2].substr(17); in ParseTraceHeader()
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