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update colvars library with bugfixes/updates from giacomo and jerome

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This commit is contained in:
Axel Kohlmeyer
2016-04-14 18:43:24 -04:00
parent b2b94ec645
commit ee0630afea
7 changed files with 52 additions and 43 deletions
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6
lib/colvars/colvar.cpp
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@ -610,6 +610,7 @@ int colvar::parse_analysis(std::string const &conf)
this->name+".runave.traj"));
size_t const this_cv_width = x.output_width(cvm::cv_width);
cvm::backup_file(runave_outfile.c_str());
runave_os.open(runave_outfile.c_str());
runave_os << "# " << cvm::wrap_string("step", cvm::it_width-2)
<< " "
@ -1634,15 +1635,16 @@ int colvar::write_output_files()
if (acf.size()) {
cvm::log("Writing acf to file \""+acf_outfile+"\".\n");
cvm::backup_file(acf_outfile.c_str());
cvm::ofstream acf_os(acf_outfile.c_str());
if (! acf_os.good()) {
if (! acf_os.is_open()) {
cvm::error("Cannot open file \""+acf_outfile+"\".\n", FILE_ERROR);
}
write_acf(acf_os);
acf_os.close();
}
if (runave_os.good()) {
if (runave_os.is_open()) {
runave_os.close();
}
}