GitHub - ngastellu/percolate_mac: Code whose aime is to derive MAC's electronic transport properties using percolation theory

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Code whose aime is to derive MAC's electronic transport properties using percolation theory

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Name		Name	Last commit message	Last commit date
Latest commit History 143 Commits
MC_plots		MC_plots
extra_calcs		extra_calcs
percolate_plots		percolate_plots
percolation_ablation		percolation_ablation
plotting		plotting
to_narval		to_narval
.gitignore		.gitignore
MOs2sites.py		MOs2sites.py
ablation_study.py		ablation_study.py
analysis.ipynb		analysis.ipynb
animate_cluster.py		animate_cluster.py
animate_mc.py		animate_mc.py
check_jitted_pkls.py		check_jitted_pkls.py
clusters_plot.py		clusters_plot.py
compare_arrhenius.py		compare_arrhenius.py
compare_sites.py		compare_sites.py
compare_sto-3g_carbon_sp.py		compare_sto-3g_carbon_sp.py
curvefit_compare_arrhenius.py		curvefit_compare_arrhenius.py
debug_percolate.ipynb		debug_percolate.ipynb
deploy_percolate.py		deploy_percolate.py
distance_distributions.ipynb		distance_distributions.ipynb
fit_plot_extreMOs.py		fit_plot_extreMOs.py
fit_plots.py		fit_plots.py
getK.py		getK.py
get_trajs.py		get_trajs.py
get_trajs_narval.py		get_trajs_narval.py
jitted_v_vanilla_components.py		jitted_v_vanilla_components.py
master_equation.py		master_equation.py
mctraj_scatterplot.py		mctraj_scatterplot.py
mode_detection.ipynb		mode_detection.ipynb
monte_carlo.py		monte_carlo.py
p6c_vs_Ea.py		p6c_vs_Ea.py
percolate.py		percolate.py
percplotting.py		percplotting.py
plot_MC_results_MA.py		plot_MC_results_MA.py
plot_MC_results_dipole.py		plot_MC_results_dipole.py
plot_cluster_extreMOs.py		plot_cluster_extreMOs.py
plot_locMOs.py		plot_locMOs.py
proof_of_concept.ipynb		proof_of_concept.ipynb
pyscf_locMOs.py		pyscf_locMOs.py
pyscf_locMOs_narval.py		pyscf_locMOs_narval.py
pyscf_tightbinding_example.py		pyscf_tightbinding_example.py
run_MCpercolate.py		run_MCpercolate.py
run_MCpercolate_narval.py		run_MCpercolate_narval.py
run_MCpercolate_narval_mpi.py		run_MCpercolate_narval_mpi.py
run_MCpercolate_numba.py		run_MCpercolate_numba.py
stat_plots.py		stat_plots.py
storyboard.ipynb		storyboard.ipynb
testB_MAC.py		testB_MAC.py
testB_lattice.py		testB_lattice.py
testB_random.py		testB_random.py
test_clusters.py		test_clusters.py
test_dipole_coupling.py		test_dipole_coupling.py
test_jit_percolate.py		test_jit_percolate.py
test_loc_centers.py		test_loc_centers.py
test_pair_inds.py		test_pair_inds.py
test_rough_integration.py		test_rough_integration.py
utils_analperc.py		utils_analperc.py
utils_arpackMAC.py		utils_arpackMAC.py