Differences between revisions 12 and 13

BDF User's guide

Contents

Insert introduction of BDF module at here.

Run BDF

drt - Generate DRTs in GUGA.

grad - Gradient.

mcscf - Multi-configrational self-consistent-field program

mp2 - MP2 program

mrci - Multi-reference configuration interaction program.

local - Localization of molecule orbital.

scf - Self-consistent-field program

xuanyuan - 1e and 2e integrals program.

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-[[xuanyuan]] - 1e and 2e integrals
+[[xuanyuan]] - 1e and 2e integrals program.