change format for equilibrium values and update writer and reader code, so it will become compatible with class2 angles/dihedrals/impropers

This commit is contained in:
Axel Kohlmeyer
2020-05-30 17:50:38 -04:00
parent 07163a710a
commit 1042e16423
3 changed files with 7 additions and 5 deletions

View File

@ -213,7 +213,9 @@ void TestConfigReader::equilibrium(const yaml_event_t & event) {
std::stringstream data((char *)event.data.scalar.value);
config.equilibrium.clear();
double value;
while (1) {
std::size_t num;
data >> num;
for (std::size_t i=0; i < num; ++i) {
data >> value;
if (data.eof()) break;
config.equilibrium.push_back(value);