CYANA Macro: forall
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Parameters
- parameters
- save
- parallel
- skip
Description
This macro performs a loop over all selected structures, copies them into the structure memory #0, executes the user commands, and copies the structure back to the structure memory. Optionally, it is possible to save the structures as angle files with names dnnnmmm.ang (nnn denotes the current process number, and mmm the structure number). The calculation may be executed in parallel (if the INCLAN variable nproc has a value larger than 1). For example:
forall parallel "vtfmin steps=100,800; angstat make"
This command minimizes all selected structures using the macro vtfmin with the given number of steps and include the resulting structures into the angle statistics.