aquarius
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how to use `basis.basis_set` to override default path for basis set?
Can you tell me how/where to use basis.basis_set
to override the basis set directory? TOPDIR is different on the login and compute nodes of my system, so I need to replace /storage/home_intel/jrhammo
with /home
. Of course I can do this manually and recompile, but then I cannot run on the login node for debugging.
Tue Nov 3 23:03:38 2015: Starting task: h2o-pvdz.molecule
terminate called after throwing an instance of 'aquarius::input::BasisSetNotFoundError'
what(): /storage/home_intel/jrhammo/AQ-CTF/aquarius/basis/cc-pVDZ
Thanks!