GitHub - robertrueger/hVMC: a free Variational Monte Carlo code for the Hubbard model

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a free Variational Monte Carlo code for the Hubbard model

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Name		Name	Last commit message	Last commit date
Latest commit History 148 Commits
docs		docs
example		example
.gitignore		.gitignore
LICENSE		LICENSE
README		README
analysis.cpp		analysis.cpp
analysis.hpp		analysis.hpp
detwf.cpp		detwf.cpp
detwf.hpp		detwf.hpp
fpctrl.cpp		fpctrl.cpp
fpctrl.hpp		fpctrl.hpp
fptype.hpp		fptype.hpp
jastrow.cpp		jastrow.cpp
jastrow.hpp		jastrow.hpp
lattice.cpp		lattice.cpp
lattice.hpp		lattice.hpp
lattice_1dchain.cpp		lattice_1dchain.cpp
lattice_1dchain.hpp		lattice_1dchain.hpp
lattice_2dsqr.cpp		lattice_2dsqr.cpp
lattice_2dsqr.hpp		lattice_2dsqr.hpp
lattice_2dsqr2layer.cpp		lattice_2dsqr2layer.cpp
lattice_2dsqr2layer.hpp		lattice_2dsqr2layer.hpp
macros.h		macros.h
main.cpp		main.cpp
makefile		makefile
mccresults.cpp		mccresults.cpp
mccresults.hpp		mccresults.hpp
mccrun.cpp		mccrun.cpp
mccrun.hpp		mccrun.hpp
mccrun_prepare.cpp		mccrun_prepare.cpp
mccrun_prepare.hpp		mccrun_prepare.hpp
mktest.hpp		mktest.hpp
modman.cpp		modman.cpp
modman.hpp		modman.hpp
msgtags.hpp		msgtags.hpp
obs.hpp		obs.hpp
obs_all.hpp		obs_all.hpp
obs_corr.cpp		obs_corr.cpp
obs_corr.hpp		obs_corr.hpp
obs_dblocc.cpp		obs_dblocc.cpp
obs_dblocc.hpp		obs_dblocc.hpp
obs_deltak.cpp		obs_deltak.cpp
obs_deltak.hpp		obs_deltak.hpp
obs_dkdkp.cpp		obs_dkdkp.cpp
obs_dkdkp.hpp		obs_dkdkp.hpp
obs_dkerg.cpp		obs_dkerg.cpp
obs_dkerg.hpp		obs_dkerg.hpp
obs_energy.cpp		obs_energy.cpp
obs_energy.hpp		obs_energy.hpp
obs_nncorr.cpp		obs_nncorr.cpp
obs_nncorr.hpp		obs_nncorr.hpp
obs_pconfs.cpp		obs_pconfs.cpp
obs_pconfs.hpp		obs_pconfs.hpp
obs_sscorr.cpp		obs_sscorr.cpp
obs_sscorr.hpp		obs_sscorr.hpp
options.cpp		options.cpp
options.hpp		options.hpp
pconf.cpp		pconf.cpp
pconf.hpp		pconf.hpp
sched.cpp		sched.cpp
sched.hpp		sched.hpp
serialization_eigen.hpp		serialization_eigen.hpp
template.job		template.job
tvector.cpp		tvector.cpp
tvector.hpp		tvector.hpp
utils.cpp		utils.cpp
utils.hpp		utils.hpp
varparam.cpp		varparam.cpp
varparam.hpp		varparam.hpp
wmatrix.cpp		wmatrix.cpp
wmatrix.hpp		wmatrix.hpp

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#hVMC

hVMC is a free Variational Monte Carlo code for the Hubbard model.

I wrote hVMC as a part of my master's thesis in physics. It is written in C++11
and I have tried to keep the amount of code not immediately related to the
actual calculation (e.g. IO, communication, command line parsing) to a minimum.
To this purpose hVMC makes heavy use of template libraries like the STL, Boost
and Eigen3. I spent a lot of time profiling and optimizing hVMC to make sure it
runs as fast as possible. A particularly nice feature is that hVMC performs some
(the most expensive) calculations in single precision and keeps track of
resulting floating point errors at runtime in order to ensure the validity of
the results. hVMC is parallelized using MPI and should run efficiently on any
distributed memory machine, even one where not all processors are equally fast.
For large enough calculations I have seen practically linear scaling up to
hundreds of processors.

The documentation of hVMC is a bit lacking as I had very little time between the
submission of my master's thesis and the start of my PhD studies. The closest
thing to a hVMC documentation is actually my master's thesis itself, which not
only includes all the theoretical background and a discription of the hVMC
internals, but also has an appendix that descibes how to build and use hVMC.
My thesis is part of the hVMC repository and can be found in docs/thesis.pdf.

I hope that hVMC is useful! Feel free to contact me with any questions or bugs
that come up!


##License

Copyright (c) 2013, Robert Rüger ([email protected])

hVMC is free software: you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.

hVMC is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
GNU General Public License for more details.

You should have received a copy of the GNU General Public License
along with hVMC.  If not, see <http://www.gnu.org/licenses/>.