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Diffusion Quantum Monte Carlo With Gaussian Guiding Wave Functions

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guidedDQMC

Diffusion Quantum Monte Carlo With Gaussian Guiding Wave Functions

compile with: ifort mod_dftbp.f90 wrapper_energyandforces.f90 dftbp_parameters.f90 dftbp_walker.f90 dftbp_dqmc_main.f90 -mkl -qopenmp -C -g -check all -fpe0 -traceback -debug extended

For a detailed description of the method, please read thesis.pdf