The Oct 2010 patch (/src/atomscf/atomd.F) changes intermediate results after forming the initial guess. For example, auh2o test output before the patching (as in the reference auh2o.ok.out) is
Superposition of Atomic Density Guess
Sum of atomic energies: -268.11660703
Renormalizing density from 39.00 to 38
Non-variational initial energy
------------------------------
Total energy = -249.706158
1-e energy = -583.320362
2-e energy = 208.720348
HOMO = -1.439826
LUMO = -1.396047
After the patching the same results are
Superposition of Atomic Density Guess
Sum of atomic energies: -310.11795317
Renormalizing density from 39.00 to 38
Non-variational initial energy
------------------------------
Total energy = -283.136277
1-e energy = -674.798283
2-e energy = 266.768149
HOMO = -0.779413
LUMO = -0.432040
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