Closed polyluxus closed 6 years ago
On a cluster/computer that uses modular software management, it is possible to access these pre-configured installations via the script. This requires configuration or setting them as command line flags.
Implements the automatic generation of the file name where the xtb output shall be trapped, i.e. https://github.com/polyluxus/runxtb.bash/issues/12
If the project is set to 0 or default, it will be silently ignored. (This might cause problems, if there actually is a project called default.)
0
default
Different executable files from xtb can be accessed directly via -C <ARG>, e.g. rmatom.
-C <ARG>
rmatom
On a cluster/computer that uses modular software management, it is possible to access these pre-configured installations via the script. This requires configuration or setting them as command line flags.
Implements the automatic generation of the file name where the xtb output shall be trapped, i.e. https://github.com/polyluxus/runxtb.bash/issues/12
If the project is set to
0ordefault, it will be silently ignored. (This might cause problems, if there actually is a project called default.)Different executable files from xtb can be accessed directly via
-C <ARG>, e.g.rmatom.