Commit 66625747 by Francois Gygi

rel1_33_3


git-svn-id: http://qboxcode.org/svn/qb/trunk@510 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 3cbef8e3
#-------------------------------------------------------------------------------
# $Id: Makefile,v 1.44 2007-08-14 04:11:54 fgygi Exp $
# $Id: Makefile,v 1.45 2007-09-30 04:49:29 fgygi Exp $
#------------------------------------------------------------------------------
#
include $(TARGET).mk
......@@ -42,6 +42,9 @@ CXXFLAGS += -DTARGET='"$(TARGET)"'
ar cr libqb.a $^
SamplePrint: SamplePrint.o SamplePrintHandlers.o
$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
testMatrixColumnRotation : testMatrixColumnRotation.o Matrix.o Context.o \
MatrixColumnRotation.o
$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
testAndersonMixer: testAndersonMixer.o AndersonMixer.o Context.o
$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
testSample: testSample.o AtomSet.o Atom.o Species.o \
......@@ -332,6 +335,8 @@ LoadCmd.o: SampleReader.h
LoadCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
LoadCmd.o: ConstraintSet.h Wavefunction.h UnitCell.h Control.h
Matrix.o: Context.h Matrix.h
MatrixColumnRotation.o: MatrixColumnRotation.h Context.h Matrix.h Timer.h
MatrixColumnRotation.o: Context.h Matrix.h
MDIonicStepper.o: MDIonicStepper.h IonicStepper.h Sample.h AtomSet.h
MDIonicStepper.o: Context.h Atom.h D3vector.h ConstraintSet.h Wavefunction.h
MDIonicStepper.o: UnitCell.h Control.h Species.h
......@@ -506,6 +511,7 @@ testjacobi.o: Timer.h Context.h Matrix.h jacobi.h
testjade.o: Timer.h Context.h Matrix.h jade.h
testLDAFunctional.o: LDAFunctional.h XCFunctional.h
testMatrix.o: Timer.h Context.h Matrix.h
testMatrixColumnRotation.o: MatrixColumnRotation.h Context.h Matrix.h Timer.h
testMemParse.o: StrX.h
testofstream.o: Context.h
testPParse.o: StrX.h
......
......@@ -33,6 +33,13 @@ with srand48(ctxt.myproc()).
Could reinitialize the seed in MDIonicsStepper.C using a common value identical
on all processors.
--------------------------------------------------------------------------------
rel1_33_3
BOSampleStepper.C: extrapolation: restored alignment before extrapolation
ChargeMixCoeff.h: changed default value back to 0.5
Matrix.h: added iglobal and jglobal functions
SDAIonicStepper.h: modified default theta_max and theta_nc values
Species.[Ch]: added phi function
--------------------------------------------------------------------------------
rel1_33_2
Implemented calculation of total electronic and ionic dipole in MLWF.
--------------------------------------------------------------------------------
......
......@@ -3,10 +3,10 @@
// release.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: release.C,v 1.35 2007-08-14 04:12:59 fgygi Exp $
// $Id: release.C,v 1.36 2007-09-30 04:49:29 fgygi Exp $
#include "release.h"
std::string release(void)
{
return std::string("1.33.2");
return std::string("1.33.3");
}
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