/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/ |
H A D | poormanwannier.f90 | 153 ldim1, ldim2, lwork, i, j, info, counter, counter_ldau local 187 ldim2 = last_band + 1 - first_band 188 IF (ldim1 > ldim2 ) CALL errore( 'projection','too few bands',ldim1-ldim2) 200 'number of bands for projecting', ldim2, & 232 lwork = 5 * max(ldim1,ldim2) 233 ALLOCATE (pp(ldim1,ldim2), u_m(ldim1,ldim1), w_m(ldim2,ldim2), & 282 do i=1,ldim2 294 w_m, ldim2, work, lwork, rwork, info ) 308 ldim2, ZERO, pp, ldim1 ) 310 CALL zgemm( 'N', 'C', ldim1, ldim1, ldim2, ONE, pp, ldim1, pp, & [all …]
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/dports/misc/adios2/ADIOS2-2.7.1/testing/adios2/performance/manyvars/ |
H A D | PerfManyVars.c | 53 static const int ldim2 = 5; variable 74 n = ldim1 * ldim2; in alloc_vars() 108 gdim2 = NBLOCKS * ldim2; in set_gdim() 114 offs2 = block * ldim2; in set_offsets() 124 n = ldim1 * ldim2; in set_vars() 257 size_t count[2] = {ldim1, ldim2}; in define_vars() 274 size_t count[2] = {ldim1, ldim2}; in write_file() 355 n = ldim1 * ldim2; in reset_readvars() 369 size_t count[2] = {ldim1, ldim2}; in read_file() 426 CHECK_ARRAY(varnames[i], r2, ldim1 * ldim2, v, step, block, in read_file()
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H A D | TestManyVars.cpp | 156 static const size_t ldim2 = 5; member in TestManyVars 173 n = ldim1 * ldim2; in alloc_vars() 203 gdim2 = NBLOCKS * ldim2; in set_gdim() 209 offs2 = block * ldim2; in set_offsets() 219 n = ldim1 * ldim2; in set_vars() 311 size_t count[2] = {ldim1, ldim2}; in define_vars() 327 size_t count[2] = {ldim1, ldim2}; in write_file() 366 n = ldim1 * ldim2; in reset_readvars() 381 size_t count[2] = {ldim1, ldim2}; in read_file() 442 CHECK_ARRAY(varnames[i], r2, ldim1 * ldim2, v, step, in read_file()
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/dftgrad/ |
H A D | j_nucder_gen.F | 83 integer l_d_ija, k_d_ija, l_d_kla, k_d_kla, ldim1, ldim2, 138 & ldim1, ldim2, l_scr, k_scr, lscr, l_buf, 156 & ldim2, g_dens, 0d0, hess, g_rhs, 316 & ldim1, ldim2, l_scr, k_scr, lscr, l_buf, 328 integer l_d_ija, k_d_ija, l_d_kla, k_d_kla, ldim1, ldim2, 350 ldim2 = max_at_bf 355 ldim2 = max_sh_bfcd 361 if (.not. MA_push_get(MT_DBL, ldim2*ldim2, 'd_kla', l_d_kla,
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/dftgrad/ |
H A D | j_nucder_gen.F | 83 integer l_d_ija, k_d_ija, l_d_kla, k_d_kla, ldim1, ldim2, 138 & ldim1, ldim2, l_scr, k_scr, lscr, l_buf, 156 & ldim2, g_dens, 0d0, hess, g_rhs, 316 & ldim1, ldim2, l_scr, k_scr, lscr, l_buf, 328 integer l_d_ija, k_d_ija, l_d_kla, k_d_kla, ldim1, ldim2, 350 ldim2 = max_at_bf 355 ldim2 = max_sh_bfcd 361 if (.not. MA_push_get(MT_DBL, ldim2*ldim2, 'd_kla', l_d_kla,
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/dports/science/siesta/siesta-4.1.5/Src/ |
H A D | restructSpData2D.F90 | 44 integer :: dim2_in, dim2_min, ldim2 local 116 ldim2 = dim2 118 ldim2 = dim2_in 121 call newdData2D(a2d_out,size_out,ldim2,"(new in restruct)") 126 dim2_min = min(dim2_in, ldim2)
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
H A D | vhpsi.f90 | 261 INTEGER :: ldim2, ldimx, ldim1, m1, m2, equiv_na2, & local 304 ldim2 = ldim_u(nt2) 356 DO m2 = 1, ldim2 364 DO m2 = 1, ldim2 380 CALL DGEMM ('t','n', ldim1,mps,ldim2, 1.0_dp, & 395 DO m2 = 1, ldim2 403 DO m2 = 1, ldim2 479 DO m2 = 1, ldim2 489 CALL DGEMM ('n','n', ldim2,mps,ldim1, 1.0_dp, & 492 CALL DGEMM ('n','n', 2*np, mps, ldim2, 1.0_dp, & [all …]
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H A D | force_hub.f90 | 226 ldim2 = ldim_u(nt2) 726 ldim2 = ldim_u(nt2) 736 DO m2 = 1, ldim2 750 DO m2 = 1, ldim2 798 ldim2 = ldim_u(nt2) 800 DO m2 = 1, ldim2 906 ldim2 = ldim_u(nt2) 909 DO m2 = 1, ldim2 923 DO m2 = 1, ldim2 967 ldim2 = ldim_u(nt2) [all …]
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H A D | new_nsg.f90 | 45 INTEGER :: na1, na2, viz, nt1, nt2, ldim1, ldim2, ldimb, nb1, nb2, viz_b local 113 ldim2 = ldim_u(nt2) 118 DO m2 = 1, ldim2 143 DO m2 = 1, ldim2 200 ldim2 = ldim_u(nt2) 202 DO m2 = 1, ldim2
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H A D | stres_hub.f90 | 52 INTEGER :: ldim, ldim1, ldim2, ldimb, equiv_na2, i_type, nb_s, nb_e, mykey, i local 262 ldim2 = ldim_u(nt2) 268 DO m2 = 1, ldim2 698 ldim1, ldim2, & ! dimensions of the Hubbard manifold local 734 ldim2 = ldim_u(nt2) 737 DO m2 = 1, ldim2 751 DO m2 = 1, ldim2 841 ldim1, ldim2, & ! dimensions of the Hubbard manifold local 877 ldim2 = ldim_u(nt2) 880 DO m2 = 1, ldim2 [all …]
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H A D | write_ns.f90 | 367 INTEGER :: na1, na2, ldm1, ldm2, ldim1,ldim2, viz, nt1, nr, nt2 local 444 DO m2 = 1, ldim2 445 f(ldm1+m1,ldim2+m2) = nsgnew(m2,m1,viz,na1,is)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | gauss_colloc.F | 200 ndim, period, shiftPos, ldim2 local 245 ldim2(permut(0)) = SIZE(grid, 1) 246 ldim2(permut(1)) = SIZE(grid, 2) 247 ldim2(permut(2)) = SIZE(grid, 3) 254 ndim = ldim2 283 CPASSERT(l_ub(i) < ldim2(i))
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/grid/ |
H A D | gauss_colloc.F | 193 ndim, period, shiftPos, ldim2 local 232 ldim2(permut(0)) = SIZE(grid, 1) 233 ldim2(permut(1)) = SIZE(grid, 2) 234 ldim2(permut(2)) = SIZE(grid, 3) 241 ndim = ldim2 270 CPASSERT(l_ub(i) < ldim2(i))
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