Warnings from the underlying third-party code
When integrating third-party simulation code (such as Turbomole or VASP via ASE) it is helpful to read the outputs and detect warnings issued therein. These systems provide no standard options to process / handle exceptions. Therefore, certain output files can be scanned for certain patterns that can be categorized as warnings or errors.
A major problem for the implementation of this request is that the language interpreter is based on ASE which in turn has no interface to provide the necessary code outputs.
Because such messages are side effects (not the output of the functions generated by the interpreter), one way to implement this is, as in other similar cases, using a magic command, like %stderr a
or %stdout a
whereby a
is a variable statement. If such warnings and other messages are in code-specific files, the user can go to the launch directory and inspect them manually. The best we can do is to add something like %launchdir a
.