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A collection of utilities and tools to run QMC codes released under GPL v2.

2012-07-16

QE 4.2. with pw2qmcpack.x PP tool

pw2qmcpack.x : a utility to generate ESHDF file that can be used by QMCPACK

svn co http://qmctools.googlecode.com/svn/dft/espresso-4.2/

It is a fork of QE 4.2. See how to compile and build at wiki.

Tools to handle PPs and wavefunctions

wfconv/ppconvert are now available as a package and can be download by subversion as:

svn co http://qmctools.googlecode.com/svn/trunk/wfconvert

The distribution includes blitz header files and Common library. It uses the same build system based on cmake and needs these libraries to compile the tools

  • libxml2
  • hdf5
  • fftw3

Change: einspline is included with the distribution and there is no need to build the library separately.

With XYZ_HOME, simply run

cd build
cmake ..
make

Consult QMCPACK wiki http://qmcpack.cmscc.org/ for the details.

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