Testing quantum_espresso
The tests described in the following tables were performed on July 06, 2025 to test whether the interface between quantum_espresso and the master version of PLUMED is working correctly.
Basic functionalities
Tests on virial
Description of test | Status |
---|---|
PLUMED virial passed correctly |
Tests on energy
Description of test | Status |
---|---|
MD code potential energy passed correctly | |
PLUMED forces on potential energy passed correctly | |
PLUMED contribution to virial due to force on potential energy passed correctly |