Commit 42acafe5 by Francois Gygi


git-svn-id: cba15fb0-1239-40c8-b417-11db7ca47a34
parent b2912abe
To do:
Fix the ndim>0 Anderson charge mixing to avoid singular systems
Added a virtual member function in Constraint that returns the number of DOFs to
be subtracted due to that constraint. That number is 1 for all constraints,
except for PositionConstraint, for which it is 3. This function is used
by ConstraintSet to keep track of the total number of DOFs to be removed
when computing the system temperature. The ConstraintSet class maintains the
total number of DOFs and modifies it only when constraints are added or deleted.
MDIonicStepper::ekin() modified to compute kinetic energy correctly in the
presence of constraints.
Emass.h: allow reset to zero
BOSampleStepper.C: fix print format of etotal_int
Add BMDIonicStepper class.
......@@ -15,10 +15,10 @@
// release.C
// $Id: release.C,v 1.70 2009-05-01 04:27:17 fgygi Exp $
// $Id: release.C,v 1.71 2009-05-15 04:42:53 fgygi Exp $
#include "release.h"
std::string release(void)
return std::string("1.47.0");
return std::string("1.47.1");
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