Commit ef3a6ed3 by Francois Gygi

prepare for 1.54.4 release


git-svn-id: http://qboxcode.org/svn/qb/trunk@999 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 6c891185
......@@ -7,6 +7,14 @@ BOSampleStepper.C:Using run 0 modifies the wavefunctions. Need to set
wf_dyn=LOCKED to only compute energy without modif of wfs.
kpgen for non-rectangular cells yields non-symmetric kpoint sets.
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rel1_54_4 candidate
Added randomize_v command to set velocities to a Maxwell-Boltzmann distribution
Modified CGIonicStepper: project forces on constraints
Modified BMDIonicStepper: rescale velocity rather than stop
Other steppers: added synchronization calls to ensure consistency of positions
and unit cell values across tasks.
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rel1_54_3
Rewrite of CellStepper, SDCellStepper, CGCellStepper classes.
CGOptimizer and LineMinimizer restructured.
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