drjuls / AMBiT

GNU General Public License v3.0
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Deprecate -m input flag #16

Closed emilyviolet closed 6 years ago

emilyviolet commented 6 years ago

AMBiT currently requires both the -m and -s12 flags to generate MBPT integrals during a run in a clean directory. AMBiT behaves unpredictably if -s12 or -s123 input flags are used without -m, which has bitten users multiple times now.

This is bad for usability, since most of the time you'll want to generate the MBPT integrals if the integral files don't exist, since MBPT is no longer ludicrously expensive. It seems more reasonable to make generating integrals the default behaviour and require the user to explicitly request if they dont' want to make the integrals via a new flag (perhaps something like --no-make-integrals).