exp

Todo

This command has not yet been ported to the new APBS syntax (see YAML- and JSON-format input files).

This keyword can be used to load in the expansion matrices from files. They will have been previously generated, and will be named molm.H, F.[s].exp (see pbam-auto for more information). The syntax is:

exp {prefix}

where prefix is the filename prefix molmsph. The H or F and s.bin will be appended during the program run.

Todo

It would be better to generalize the READ input file section section of the input file rather than use the exp command. This command also needs to be cleaned up – it’s too fragile. Documented at https://github.com/Electrostatics/apbs/issues/489