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Commits
42acafe5
Commit
42acafe5
authored
May 15, 2009
by
Francois Gygi
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rel1_47_1
git-svn-id:
http://qboxcode.org/svn/qb/trunk@701
cba15fb0-1239-40c8-b417-11db7ca47a34
parent
b2912abe
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16 additions
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2 deletions
+16
-2
notes
src/notes
+14
-0
release.C
src/release.C
+2
-2
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src/notes
View file @
42acafe5
To do:
Fix the ndim>0 Anderson charge mixing to avoid singular systems
--------------------------------------------------------------------------------
rel1_47_1
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
--------------------------------------------------------------------------------
rel1_47_0
Add BMDIonicStepper class.
...
...
src/release.C
View file @
42acafe5
...
...
@@ -15,10 +15,10 @@
// release.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: release.C,v 1.7
0 2009-05-01 04:27:17
fgygi Exp $
// $Id: release.C,v 1.7
1 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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