UT theoretical chemistry code forum

I've added the reading of the environmental variable VTST_BC to get the boundary conditions in the vasp2con.pl script. I think it's time to allow the boundary condition settings, along with optional printing styles to be controlled without having to modify the scripts. A variable can be read using the $ENV{VTST_VARNAME} variable in perl.

Two variable can now be set to specify the

stdout: VTST_STDOUT
stderr: VTST_STDERR

The vfin.pl script uses these variables and copies the stdout file to the save directory, and the stderr file is erased.

The variable VTST_ZIP can be set to gzip (the default) or bzip2. The later tends to have a higher compression ratio.