Files
lammps/examples/mdi/log.7Apr22.mdi.aimdpy.driver.tcp.g++.1
2022-04-07 15:13:29 -06:00

7 lines
410 B
Groff

Step 0: MM energy 2.15568, QM energy -6.77337, Total energy -4.61769
Step 1: MM energy 2.15228, QM energy -6.76998, Total energy -4.6177
Step 2: MM energy 2.14195, QM energy -6.75968, Total energy -4.61774
Step 3: MM energy 2.12419, QM energy -6.742, Total energy -4.61781
Step 4: MM energy 2.0982, QM energy -6.71611, Total energy -4.61791
Step 5: MM energy 2.06283, QM energy -6.68084, Total energy -4.61801