armaet

Results 4 comments of armaet

I made it such that the pressure is set to zero when the volume is constrained, as it does not make sense otherwise. Currently I included a print statement to...

In [this commit](https://github.com/i-pi/i-pi/commit/0e70ec235c4b2af707406923fc2a8923ed98967d#diff-1e2c670c25a308978c62213f1a0587d5663232ef25ee5d49eb6c556c5b88ee64) they restructured the drivers and the `run_driver`-function is no longer included in the `pip` installation. The driver now works through PES functions, however as we are using...

PR has been merged in i-PI, let us review!

So, unfortunately I made a slight oversight in the driver where I forgot to also include the class itself in the `check_output`-function. This makes stopping when exceeding some max force...