Comparison of QMC codes

From QMC

Please add to and elaborate. Codes are initially in alphabetical order but may be sorted by any column.

Contents 1 General 2 Methods 3 Wave Function Optimization 4 Systems 5 Basis functions

[edit] General

Code	Main author(s)	Web page	Language	Parallelism
CASINO	Mike Towler	http://www.tcm.phy.cam.ac.uk/~mdt26/casino2.html	Fortran 90	MPI
CHAMP	Cyrus Umrigar	http://www.tc.cornell.edu/~cyrus/champ.html	Fortran 77 with Fortran 90/95/03 extensions	MPI
QMCPACK	Jeongnim Kim	http://code.google.com/p/qmcpack/	C++	MPI/OpenMP/GPU
QWalk	Lucas Wagner	http://www.qwalk.org/	C++	MPI
Zori	Alan Aspuru-Guzlik	http://www.zori-code.com/	C(?)	?

[edit] Methods

Code	Variational	Diffusion	Reptation	Path Integral	Auxiliary Field
CASINO	Y	Y	N	N	N
CHAMP	Y	Y	N	N	N
QMCPACK	Y	Y	Y	N	N
QWalk	Y	Y	Y	N	N
Zori	Y	Y	?	?	?

[edit] Wave Function Optimization

Code	Fit	Newton	Linear	Perturbation
CASINO	Y	Y	?	?
CHAMP	Y	Y	Y	Y
QMCPACK	Y	Y	Y	N
QWalk	Y	?	?	?
Zori	Y	?	?	?

[edit] Systems

Code	Atoms	Molecules	Solids	Slabs	Electron Gas
CASINO	Y	Y	Y	Y	Y
CHAMP	Y	Y	Y	?	?
QMCPACK	Y	Y	Y	Y	Y
QWalk	Y	Y	Y	?	?
Zori	Y	Y	N	N	N?

[edit] Basis functions

Code	Slater-type	Gaussian	Numerical 1D	Plane wave	Spline (Bsplin/Blip)	Interpolating polynomial
CASINO	N	Y	?	Y	Y	Y
CHAMP	Y	Y	?	Y	Y	Y
QMCPACK	Y	Y	Y	Y	Y	N
QWalk	?	Y	?	N	N	?
Zori	?	Y	?	N	?	?