Commit c8456e03 by Francois Gygi

update for rel1_63_0


git-svn-id: http://qboxcode.org/svn/qb/trunk@1785 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 5fe8d706
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r1779-r1782 Implementation of Harris-Foulkes functional for calc of etotal_int
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rel1_62_7 r1776
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r1774: Fixed output of partial_charge command.
Increased max iter in ConstraintSet (note: two changes in r1774. accidental)
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r1789 rel1_62_6
r1771 rel1_62_6
Implementation of partial_charge command
Implementation of iter_cmd and iter_cmd_period variables
JDWavefunctionStepper.C Fix: use dwf for preconditioning.
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rel1_62_5 r1760
r1758 GGIonicStepper.C
Reduced alpha_max to 5.0
Rescale alpha when displacement exceeds limit
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