Closed ChiCheng45 closed 1 month ago
Description of work Applied the correlation update IR jobs following #435. Here are some tests I did using a water trajectory.
dipole autocorrelation Before
After
Infrared
derivative dipole autocorrelation Before After
IR Before After
To test Run all IR jobs and check that they are completed successfully.
Description of work Applied the correlation update IR jobs following #435. Here are some tests I did using a water trajectory.
dipole autocorrelation Before
After
Infrared
derivative dipole autocorrelation Before
After
IR Before
After
To test Run all IR jobs and check that they are completed successfully.