├── .gitignore ├── Day1 ├── Python │ ├── README.md │ ├── exercise1.py │ ├── exercise2.py │ ├── exercise3.py │ ├── further_python_examples │ │ ├── tutorial_numpy.py │ │ ├── tutorial_pandas.py │ │ └── tutorial_plotting.py │ ├── python-intro-4x3.pdf │ ├── python-intro-4x3.pptx │ ├── python-intro.pdf │ ├── python-intro.pptx │ └── solutions │ │ ├── exercise1.py │ │ ├── exercise2.py │ │ └── exercise3.py ├── README.md ├── Statistics │ ├── RandomWalk.py │ ├── error-lecture-4x3.pdf │ ├── error-lecture-4x3.pptx │ ├── error-lecture.pdf │ └── error-lecture.pptx ├── UmrigarSlides.pdf └── VMC │ ├── .#instructions.tex │ ├── README.md │ ├── hamiltonian.py │ ├── he_optimization.py │ ├── instructions.pdf │ ├── instructions.tex │ ├── metropolis.py │ ├── metropolis_drift.py │ ├── slaterwf.py │ ├── solutions │ ├── check_singularity.py │ ├── compare_drift.py │ ├── energy.pdf │ ├── hamiltonian.py │ ├── he_optimization.py │ ├── helium.csv │ ├── metropolis.py │ ├── metropolis_drift.py │ ├── pair_distribution.py │ ├── plot_csv.py │ ├── singularity.csv │ ├── slaterwf.py │ └── wavefunction.py │ ├── vmc-intro-4x3.pdf │ ├── vmc-intro-4x3.pptx │ ├── vmc-intro.pdf │ ├── vmc-intro.pptx │ └── wavefunction.py ├── Day2_DMC ├── README.md ├── dmc_plot.py ├── dmc_reblock.py ├── instructions.pdf ├── instructions.tex ├── lecture_notes.pdf └── solutions │ └── dmc.py ├── Day3_FCIQMC ├── FCIQMC_Slides.pdf ├── FCIQMC_notes.pdf ├── exercises │ ├── FCIDUMP.6H │ ├── FCIDUMP.8H │ ├── Full_Ham_6H.npy │ ├── Full_Ham_8H.npy.zip │ ├── det_ops.py │ ├── fciqmc_partI.py │ ├── fciqmc_partII.py │ └── system.py └── solutions │ ├── FCIDUMP.6H │ ├── FCIDUMP.8H │ ├── Full_Ham_6H.npy │ ├── Full_Ham_8H.npy │ ├── det_ops.py │ ├── fciqmc_partI.py │ ├── fciqmc_partII.py │ ├── fciqmc_stats │ └── system.py ├── Day4_AFQMC ├── 2019_Stochastics_Summer_School_AFQMC_Talk.pdf ├── 2019_Telluride_Summer_School_AFQMC_Exercises.pdf ├── 2019_Telluride_Summer_School_AFQMC_Solutions.pdf ├── AFQMC_Exercise_Slides.pdf ├── Motta_et_al-2018-Wiley_Interdisciplinary_Reviews__Computational_Molecular_Science.pdf ├── README.md ├── Solutions │ ├── 2019_Telluride_Summer_School_AFQMC_Solutions.pdf │ ├── Zhang_CPMPCLab.pdf │ ├── measure.py │ ├── one_body.py │ ├── orthogonalization.py │ ├── parameters.py │ ├── telluride_main_cpmc.py │ └── two_body.py ├── Tutorial │ ├── 2019_Telluride_Summer_School_AFQMC_Exercises.pdf │ ├── measure.py │ ├── one_body.py │ ├── orthogonalization.py │ ├── telluride_main_cpmc.py │ └── two_body.py ├── Zhang_CPMC_Lab.pdf └── Zhang_Krakauer_PRL.pdf ├── README.md ├── extras ├── PIMC │ ├── README.md │ ├── option2 │ │ ├── CalcStatistics.py │ │ ├── Histogram.py │ │ ├── PIMC.html │ │ └── data │ │ │ └── TestPath.dat │ ├── original │ │ ├── PIMC.ipynb │ │ ├── data │ │ │ └── TestPath.dat │ │ ├── path.py │ │ └── pimc.py │ └── vectorized │ │ ├── README.md │ │ ├── action.py │ │ ├── free_gas.py │ │ ├── metropolis.py │ │ ├── observe.py │ │ └── solution │ │ ├── action.py │ │ ├── free_gas.py │ │ ├── metropolis.py │ │ └── observe.py └── python_demos │ ├── clt.py │ └── timing.py ├── old ├── Day1_MonteCarlo │ ├── Analysis.ipynb │ ├── README.md │ ├── UsingNumpy.ipynb │ └── intro_to_python.pdf ├── Day1_Python │ ├── tutorial_numpy.py │ ├── tutorial_pandas.py │ └── tutorial_plotting.py ├── Day1_Statistics │ ├── RandomWalk.py │ ├── cn-energies.csv │ ├── fit-cn.py │ └── telluride-error-lecture.pdf └── Day1_VMC │ ├── README.md │ ├── hamiltonian.py │ ├── he_optimization.py │ ├── instructions.pdf │ ├── instructions.tex │ ├── introduction_slides.pdf │ ├── metropolis.py │ ├── metropolis_drift.py │ ├── slaterwf.py │ ├── solutions │ ├── check_singularity.py │ ├── compare_drift.py │ ├── hamiltonian.py │ ├── he_optimization.py │ ├── metropolis.py │ ├── metropolis_drift.py │ ├── pair_distribution.py │ ├── plot_csv.py │ ├── slaterwf.py │ └── wavefunction.py │ └── wavefunction.py ├── reference ├── TouAssUmr-AQC-15.pdf └── Umrigar_MonteCarlo.pdf └── schedule.md /.gitignore: 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