Commit a1b4c023 by Francois Gygi

rel1_52_0


git-svn-id: http://qboxcode.org/svn/qb/trunk@785 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 55b0ab42
To do: OMP implementation
SlaterDet::rs_mul_add
ChargeDensity(charge_integral)
Exc
--------------------------------------------------------------------------------
rel1_52_0
Added the rescale_v command (RescaleVCmd.h) to rescale all velocities.
Implemented the Bussi-Donadio-Parrinello thermostat.
Added files sampling.C sampling.h
Modified IonicStepper.h to add ekin_stepper member
BOSampleStepper.C: <econst> includes stepper kinetic energy when using BDP.
FourierTransform.C: included some OpenMP pragmas
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rel1_51_1
Fixed bug 2010-04-04T01:14:19Z
......
......@@ -15,10 +15,10 @@
// release.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: release.C,v 1.82 2010-04-07 03:23:28 fgygi Exp $
// $Id: release.C,v 1.83 2010-04-16 22:43:35 fgygi Exp $
#include "release.h"
std::string release(void)
{
return std::string("1.51.1");
return std::string("1.52.0");
}
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