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 * KohnâSham 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_BLAS_ASUM_HEADER 00036 #define TEMPLATE_BLAS_ASUM_HEADER 00037 00038 00039 template<class Treal> 00040 Treal template_blas_asum(const integer *n, const Treal *dx, const integer *incx) 00041 { 00042 /* System generated locals */ 00043 integer i__1, i__2; 00044 Treal ret_val, d__1, d__2, d__3, d__4, d__5, d__6; 00045 /* Local variables */ 00046 integer i__, m; 00047 Treal dtemp; 00048 integer nincx, mp1; 00049 /* takes the sum of the absolute values. 00050 jack dongarra, linpack, 3/11/78. 00051 modified 3/93 to return if incx .le. 0. 00052 modified 12/3/93, array(1) declarations changed to array(*) 00053 Parameter adjustments */ 00054 --dx; 00055 /* Function Body */ 00056 ret_val = 0.; 00057 dtemp = 0.; 00058 if (*n <= 0 || *incx <= 0) { 00059 return ret_val; 00060 } 00061 if (*incx == 1) { 00062 goto L20; 00063 } 00064 /* code for increment not equal to 1 */ 00065 nincx = *n * *incx; 00066 i__1 = nincx; 00067 i__2 = *incx; 00068 for (i__ = 1; i__2 < 0 ? i__ >= i__1 : i__ <= i__1; i__ += i__2) { 00069 dtemp += (d__1 = dx[i__], absMACRO(d__1)); 00070 /* L10: */ 00071 } 00072 ret_val = dtemp; 00073 return ret_val; 00074 /* code for increment equal to 1 00075 clean-up loop */ 00076 L20: 00077 m = *n % 6; 00078 if (m == 0) { 00079 goto L40; 00080 } 00081 i__2 = m; 00082 for (i__ = 1; i__ <= i__2; ++i__) { 00083 dtemp += (d__1 = dx[i__], absMACRO(d__1)); 00084 /* L30: */ 00085 } 00086 if (*n < 6) { 00087 goto L60; 00088 } 00089 L40: 00090 mp1 = m + 1; 00091 i__2 = *n; 00092 for (i__ = mp1; i__ <= i__2; i__ += 6) { 00093 dtemp = dtemp + (d__1 = dx[i__], absMACRO(d__1)) + (d__2 = dx[i__ + 1], 00094 absMACRO(d__2)) + (d__3 = dx[i__ + 2], absMACRO(d__3)) + (d__4 = dx[i__ 00095 + 3], absMACRO(d__4)) + (d__5 = dx[i__ + 4], absMACRO(d__5)) + (d__6 = 00096 dx[i__ + 5], absMACRO(d__6)); 00097 /* L50: */ 00098 } 00099 L60: 00100 ret_val = dtemp; 00101 return ret_val; 00102 } /* dasum_ */ 00103 00104 #endif