When performing trajectory calculations using the traj-module there is an issue with the interpolated values optionally defined in traj.inp:
This is certainly correct for the first iteration (first column in 'time'), and most likely incorrect for all others as well, as per inplausibilities in an analysis I performed. The issue has occurred when using traj on glorim and might be an issue with the local installation. I attached a file documenting the situation. The core issue I found is as follows:
When performing trajectory calculations using the traj-module there is an issue with the interpolated values optionally defined in traj.inp:
This is certainly correct for the first iteration (first column in 'time'), and most likely incorrect for all others as well, as per inplausibilities in an analysis I performed. The issue has occurred when using traj on glorim and might be an issue with the local installation. I attached a file documenting the situation. The core issue I found is as follows: