ergo
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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 * 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_LAPACK_ISNAN_HEADER 00036 #define TEMPLATE_LAPACK_ISNAN_HEADER 00037 00038 template<class Treal> 00039 logical template_lapack_isnan(Treal *din) 00040 { 00041 /* System generated locals */ 00042 logical ret_val; 00043 00044 00045 /* -- LAPACK auxiliary routine (version 3.2) -- */ 00046 /* Univ. of Tennessee, Univ. of California Berkeley and NAG Ltd.. */ 00047 /* November 2006 */ 00048 00049 /* .. Scalar Arguments .. */ 00050 /* .. */ 00051 00052 /* Purpose */ 00053 /* ======= */ 00054 00055 /* DISNAN returns .TRUE. if its argument is NaN, and .FALSE. */ 00056 /* otherwise. To be replaced by the Fortran 2003 intrinsic in the */ 00057 /* future. */ 00058 00059 /* Arguments */ 00060 /* ========= */ 00061 00062 /* DIN (input) DOUBLE PRECISION */ 00063 /* Input to test for NaN. */ 00064 00065 /* ===================================================================== */ 00066 00067 /* .. External Functions .. */ 00068 /* .. */ 00069 /* .. Executable Statements .. */ 00070 ret_val = template_lapack_laisnan(din, din); 00071 return ret_val; 00072 } /* disnan_ */ 00073 00074 #endif