This commit is contained in:
Axel Kohlmeyer
2024-11-17 12:14:07 -05:00
parent f7b87a21c7
commit 07a8806fd0

View File

@ -200,7 +200,7 @@ void FixQtpieReaxFF::pertype_parameters(char *arg)
gauss_exp[0] = 0.0;
try {
FILE *fp = utils::open_potential(gauss_file, lmp, nullptr);
if (!fp) throw TokenizerException("Fix qtpie/reaxff: coul not open gauss file", gauss_file);
if (!fp) throw TokenizerException("Fix qtpie/reaxff: could not open gauss file", gauss_file);
TextFileReader reader(fp,"qtpie/reaxff gaussian exponents");
reader.ignore_comments = true;
for (int i = 1; i <= ntypes; i++) {