diff --git a/.travis.yml b/.travis.yml index 55d22a7758ae1ba3444acd968c65790c500bd2de..5aaa878334355ebf7894b97059bda7ad62956f4c 100644 --- a/.travis.yml +++ b/.travis.yml @@ -24,7 +24,7 @@ matrix: - os: linux dist: trusty sudo: required - env: CPPCHECK=yes CPPCHECK_VERSION=1.77 + env: CPPCHECK=yes CPPCHECK_VERSION=1.78 # then check with different optimization flags - os: linux dist: trusty diff --git a/CHANGES/v2.3.txt b/CHANGES/v2.3.txt index d3229aa7e5dcb19fb836461f4fe6521dede47c90..c2928f73645a00902bff9ab34c627faf3cf01ee2 100644 --- a/CHANGES/v2.3.txt +++ b/CHANGES/v2.3.txt @@ -151,9 +151,9 @@ See branch \branch{v2.3} on git repository. with a package manager such as MacPorts. - Resolved problem with nan in \ref SMAC with SPECIESA and SPECIESB involving molecules that are the same - PDB reader is now able to read files with dos newlines (see \issue{223}). -- fix a bug in \ref CS2BACKBONE (v2.3.1) related to ring currents of HIS and TRP +- Fixed bug in \ref CS2BACKBONE (v2.3.1) related to ring currents of HIS and TRP - Fixed bug in if condition in \ref PCAVARS so that you can run with only one eigenvector defined in input -- Fixed but with timers in \ref sum_hills \issue{194}. +- Fixed bug with timers in \ref sum_hills \issue{194}. - Fixed bug when using \ref MOVINGRESTRAINT with periodic variables such as \ref TORSION \issue{225}. - Fixed bug in \ref HBONDS that used to apear when you used DONORNS and ACCEPTORS with same numbers of atoms - Fixed bug in \ref DISTANCES that appears when using BETWEEN and link cells. diff --git a/src/tools/IFile.cpp b/src/tools/IFile.cpp index 6518eeb2463309c1a8b4bd380cafb49526a4fa12..c1334fb5cf2422242459a93dd41e6c7fbac727f4 100644 --- a/src/tools/IFile.cpp +++ b/src/tools/IFile.cpp @@ -28,6 +28,7 @@ #include "Tools.h" #include <cstdarg> #include <cstring> +#include <cmath> #include <iostream> #include <string> @@ -162,7 +163,8 @@ IFile& IFile::scanField(const std::string&name,int &x){ } IFile& IFile::scanField(Value* val){ - double ff; scanField( val->getName(), ff ); + double ff=NAN; // this is to be sure a NAN value is replaced upon failure + scanField( val->getName(), ff ); val->set( ff ); if( FieldExist("min_" + val->getName() ) ){ std::string min, max;