template_lapack_laruv.h

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00001 /* Ergo, version 3.2, a program for linear scaling electronic structure
00002  * calculations.
00003  * Copyright (C) 2012 Elias Rudberg, Emanuel H. Rubensson, and Pawel Salek.
00004  * 
00005  * This program is free software: you can redistribute it and/or modify
00006  * it under the terms of the GNU General Public License as published by
00007  * the Free Software Foundation, either version 3 of the License, or
00008  * (at your option) any later version.
00009  * 
00010  * This program is distributed in the hope that it will be useful,
00011  * but WITHOUT ANY WARRANTY; without even the implied warranty of
00012  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
00013  * GNU General Public License for more details.
00014  * 
00015  * You should have received a copy of the GNU General Public License
00016  * along with this program.  If not, see <http://www.gnu.org/licenses/>.
00017  * 
00018  * Primary academic reference:
00019  * Kohn−Sham Density Functional Theory Electronic Structure Calculations 
00020  * with Linearly Scaling Computational Time and Memory Usage,
00021  * Elias Rudberg, Emanuel H. Rubensson, and Pawel Salek,
00022  * J. Chem. Theory Comput. 7, 340 (2011),
00023  * <http://dx.doi.org/10.1021/ct100611z>
00024  * 
00025  * For further information about Ergo, see <http://www.ergoscf.org>.
00026  */
00027  
00028  /* This file belongs to the template_lapack part of the Ergo source 
00029   * code. The source files in the template_lapack directory are modified
00030   * versions of files originally distributed as CLAPACK, see the
00031   * Copyright/license notice in the file template_lapack/COPYING.
00032   */
00033  
00034 
00035 #ifndef TEMPLATE_LAPACK_LARUV_HEADER
00036 #define TEMPLATE_LAPACK_LARUV_HEADER
00037 
00038 
00039 template<class Treal>
00040 int dlaruv_(integer *iseed, const integer *n, Treal *x)
00041 {
00042 /*  -- LAPACK auxiliary routine (version 3.0) --   
00043        Univ. of Tennessee, Univ. of California Berkeley, NAG Ltd.,   
00044        Courant Institute, Argonne National Lab, and Rice University   
00045        October 31, 1992   
00046 
00047 
00048     Purpose   
00049     =======   
00050 
00051     DLARUV returns a vector of n random real numbers from a uniform (0,1)   
00052     distribution (n <= 128).   
00053 
00054     This is an auxiliary routine called by DLARNV and ZLARNV.   
00055 
00056     Arguments   
00057     =========   
00058 
00059     ISEED   (input/output) INTEGER array, dimension (4)   
00060             On entry, the seed of the random number generator; the array   
00061             elements must be between 0 and 4095, and ISEED(4) must be   
00062             odd.   
00063             On exit, the seed is updated.   
00064 
00065     N       (input) INTEGER   
00066             The number of random numbers to be generated. N <= 128.   
00067 
00068     X       (output) DOUBLE PRECISION array, dimension (N)   
00069             The generated random numbers.   
00070 
00071     Further Details   
00072     ===============   
00073 
00074     This routine uses a multiplicative congruential method with modulus   
00075     2**48 and multiplier 33952834046453 (see G.S.Fishman,   
00076     'Multiplicative congruential random number generators with modulus   
00077     2**b: an exhaustive analysis for b = 32 and a partial analysis for   
00078     b = 48', Math. Comp. 189, pp 331-344, 1990).   
00079 
00080     48-bit integers are stored in 4 integer array elements with 12 bits   
00081     per element. Hence the routine is portable across machines with   
00082     integers of 32 bits or more.   
00083 
00084     =====================================================================   
00085 
00086        Parameter adjustments */
00087     /* Initialized data */
00088      integer mm[512]    /* was [128][4] */ = { 494,2637,255,2008,1253,
00089             3344,4084,1739,3143,3468,688,1657,1238,3166,1292,3422,1270,2016,
00090             154,2862,697,1706,491,931,1444,444,3577,3944,2184,1661,3482,657,
00091             3023,3618,1267,1828,164,3798,3087,2400,2870,3876,1905,1593,1797,
00092             1234,3460,328,2861,1950,617,2070,3331,769,1558,2412,2800,189,287,
00093             2045,1227,2838,209,2770,3654,3993,192,2253,3491,2889,2857,2094,
00094             1818,688,1407,634,3231,815,3524,1914,516,164,303,2144,3480,119,
00095             3357,837,2826,2332,2089,3780,1700,3712,150,2000,3375,1621,3090,
00096             3765,1149,3146,33,3082,2741,359,3316,1749,185,2784,2202,2199,1364,
00097             1244,2020,3160,2785,2772,1217,1822,1245,2252,3904,2774,997,2573,
00098             1148,545,322,789,1440,752,2859,123,1848,643,2405,2638,2344,46,
00099             3814,913,3649,339,3808,822,2832,3078,3633,2970,637,2249,2081,4019,
00100             1478,242,481,2075,4058,622,3376,812,234,641,4005,1122,3135,2640,
00101             2302,40,1832,2247,2034,2637,1287,1691,496,1597,2394,2584,1843,336,
00102             1472,2407,433,2096,1761,2810,566,442,41,1238,1086,603,840,3168,
00103             1499,1084,3438,2408,1589,2391,288,26,512,1456,171,1677,2657,2270,
00104             2587,2961,1970,1817,676,1410,3723,2803,3185,184,663,499,3784,1631,
00105             1925,3912,1398,1349,1441,2224,2411,1907,3192,2786,382,37,759,2948,
00106             1862,3802,2423,2051,2295,1332,1832,2405,3638,3661,327,3660,716,
00107             1842,3987,1368,1848,2366,2508,3754,1766,3572,2893,307,1297,3966,
00108             758,2598,3406,2922,1038,2934,2091,2451,1580,1958,2055,1507,1078,
00109             3273,17,854,2916,3971,2889,3831,2621,1541,893,736,3992,787,2125,
00110             2364,2460,257,1574,3912,1216,3248,3401,2124,2762,149,2245,166,466,
00111             4018,1399,190,2879,153,2320,18,712,2159,2318,2091,3443,1510,449,
00112             1956,2201,3137,3399,1321,2271,3667,2703,629,2365,2431,1113,3922,
00113             2554,184,2099,3228,4012,1921,3452,3901,572,3309,3171,817,3039,
00114             1696,1256,3715,2077,3019,1497,1101,717,51,981,1978,1813,3881,76,
00115             3846,3694,1682,124,1660,3997,479,1141,886,3514,1301,3604,1888,
00116             1836,1990,2058,692,1194,20,3285,2046,2107,3508,3525,3801,2549,
00117             1145,2253,305,3301,1065,3133,2913,3285,1241,1197,3729,2501,1673,
00118             541,2753,949,2361,1165,4081,2725,3305,3069,3617,3733,409,2157,
00119             1361,3973,1865,2525,1409,3445,3577,77,3761,2149,1449,3005,225,85,
00120             3673,3117,3089,1349,2057,413,65,1845,697,3085,3441,1573,3689,2941,
00121             929,533,2841,4077,721,2821,2249,2397,2817,245,1913,1997,3121,997,
00122             1833,2877,1633,981,2009,941,2449,197,2441,285,1473,2741,3129,909,
00123             2801,421,4073,2813,2337,1429,1177,1901,81,1669,2633,2269,129,1141,
00124             249,3917,2481,3941,2217,2749,3041,1877,345,2861,1809,3141,2825,
00125             157,2881,3637,1465,2829,2161,3365,361,2685,3745,2325,3609,3821,
00126             3537,517,3017,2141,1537 };
00127     /* System generated locals */
00128     integer i__1;
00129     /* Local variables */
00130      integer i__, i1, i2, i3, i4, it1, it2, it3, it4;
00131 #define mm_ref(a_1,a_2) mm[(a_2)*128 + a_1 - 129]
00132 
00133     --iseed;
00134     --x;
00135 
00136     /* Initialization added by Elias to get rid of compiler warnings. */
00137     it1 = it2 = it3 = it4 = 0;
00138     /* Function Body */
00139 
00140     i1 = iseed[1];
00141     i2 = iseed[2];
00142     i3 = iseed[3];
00143     i4 = iseed[4];
00144 
00145     i__1 = minMACRO(*n,128);
00146     for (i__ = 1; i__ <= i__1; ++i__) {
00147 
00148 /*        Multiply the seed by i-th power of the multiplier modulo 2**48 */
00149 
00150         it4 = i4 * mm_ref(i__, 4);
00151         it3 = it4 / 4096;
00152         it4 -= it3 << 12;
00153         it3 = it3 + i3 * mm_ref(i__, 4) + i4 * mm_ref(i__, 3);
00154         it2 = it3 / 4096;
00155         it3 -= it2 << 12;
00156         it2 = it2 + i2 * mm_ref(i__, 4) + i3 * mm_ref(i__, 3) + i4 * mm_ref(
00157                 i__, 2);
00158         it1 = it2 / 4096;
00159         it2 -= it1 << 12;
00160         it1 = it1 + i1 * mm_ref(i__, 4) + i2 * mm_ref(i__, 3) + i3 * mm_ref(
00161                 i__, 2) + i4 * mm_ref(i__, 1);
00162         it1 %= 4096;
00163 
00164 /*        Convert 48-bit integer to a real number in the interval (0,1) */
00165 
00166         x[i__] = ((Treal) it1 + ((Treal) it2 + ((Treal) it3 + (
00167                 Treal) it4 * 2.44140625e-4) * 2.44140625e-4) * 
00168                 2.44140625e-4) * 2.44140625e-4;
00169 /* L10: */
00170     }
00171 
00172 /*     Return final value of seed */
00173 
00174     iseed[1] = it1;
00175     iseed[2] = it2;
00176     iseed[3] = it3;
00177     iseed[4] = it4;
00178     return 0;
00179 
00180 /*     End of DLARUV */
00181 
00182 } /* dlaruv_ */
00183 
00184 #undef mm_ref
00185 
00186 
00187 #endif

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