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_ROT_HEADER 00036 #define TEMPLATE_BLAS_ROT_HEADER 00037 00038 00039 template<class Treal> 00040 int template_blas_rot(const integer *n, Treal *dx, const integer *incx, 00041 Treal *dy, const integer *incy, const Treal *c__, const Treal *s) 00042 { 00043 /* System generated locals */ 00044 integer i__1; 00045 /* Local variables */ 00046 integer i__; 00047 Treal dtemp; 00048 integer ix, iy; 00049 /* applies a plane rotation. 00050 jack dongarra, linpack, 3/11/78. 00051 modified 12/3/93, array(1) declarations changed to array(*) 00052 Parameter adjustments */ 00053 --dy; 00054 --dx; 00055 /* Function Body */ 00056 if (*n <= 0) { 00057 return 0; 00058 } 00059 if (*incx == 1 && *incy == 1) { 00060 goto L20; 00061 } 00062 /* code for unequal increments or equal increments not equal 00063 to 1 */ 00064 ix = 1; 00065 iy = 1; 00066 if (*incx < 0) { 00067 ix = (-(*n) + 1) * *incx + 1; 00068 } 00069 if (*incy < 0) { 00070 iy = (-(*n) + 1) * *incy + 1; 00071 } 00072 i__1 = *n; 00073 for (i__ = 1; i__ <= i__1; ++i__) { 00074 dtemp = *c__ * dx[ix] + *s * dy[iy]; 00075 dy[iy] = *c__ * dy[iy] - *s * dx[ix]; 00076 dx[ix] = dtemp; 00077 ix += *incx; 00078 iy += *incy; 00079 /* L10: */ 00080 } 00081 return 0; 00082 /* code for both increments equal to 1 */ 00083 L20: 00084 i__1 = *n; 00085 for (i__ = 1; i__ <= i__1; ++i__) { 00086 dtemp = *c__ * dx[i__] + *s * dy[i__]; 00087 dy[i__] = *c__ * dy[i__] - *s * dx[i__]; 00088 dx[i__] = dtemp; 00089 /* L30: */ 00090 } 00091 return 0; 00092 } /* drot_ */ 00093 00094 #endif