8000 GitHub - maxentile/MBAR_ITIC: Merging the MBAR and ITIC methodologies to optimize a TraPPE force switch model

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Merging the MBAR and ITIC methodologies to optimize a TraPPE force switch model

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Name		Name	Last commit message	Last commit date
Latest commit History 91 Commits
Force_switch		Force_switch
Old_Scripts		Old_Scripts
Tabulated		Tabulated
e0s0		e0s0
e1s0		e1s0
.gitignore		.gitignore
EthaneRerunITIC_subprocess		EthaneRerunITIC_subprocess
EthaneRerunITIC_subprocess_tabulated		EthaneRerunITIC_subprocess_tabulated
EthaneRerunIsochore		EthaneRerunIsochore
EthaneRerunIsochore_tabulated		EthaneRerunIsochore_tabulated
EthaneRerunIsochore_tabulated_parallel		EthaneRerunIsochore_tabulated_parallel
EthaneRerunIsotherm		EthaneRerunIsotherm
EthaneRerunIsotherm_tabulated		EthaneRerunIsotherm_tabulated
EthaneRerunIsotherm_tabulated_parallel		EthaneRerunIsotherm_tabulated_parallel
EthaneRunITIC_all		EthaneRunITIC_all
EthaneRunITIC_all_tabulated		EthaneRunITIC_all_tabulated
EthaneRunIsochore		EthaneRunIsochore
EthaneRunIsochore_tabulated		EthaneRunIsochore_tabulated
EthaneRunIsotherm		EthaneRunIsotherm
EthaneRunIsotherm_tabulated		EthaneRunIsotherm_tabulated
EthaneRunVirial		EthaneRunVirial
Ethane_multidimensional		Ethane_multidimensional
Ethane_multidimensional_Mie		Ethane_multidimensional_Mie
Ethane_multidimensional_tabulated		Ethane_multidimensional_tabulated
Ethane_subprocess		Ethane_subprocess
PCF_PSO_modules.py		PCF_PSO_modules.py
README.md		README.md
basis_function_example.xlsx		basis_function_example.xlsx
basis_functions_Mie.py		basis_functions_Mie.py
create_tab.py		create_tab.py
optimization_Mie_ITIC.py		optimization_Mie_ITIC.py
optimization_Mie_ITIC_multiple_refs.py		optimization_Mie_ITIC_multiple_refs.py
optimization_eps_sig_ITIC.py		optimization_eps_sig_ITIC.py
optimization_multidimensional_ITIC.py		optimization_multidimensional_ITIC.py
optimization_scipy.py		optimization_scipy.py
optimization_scipy_ITIC.py		optimization_scipy_ITIC.py
optimization_subprocess.py		optimization_subprocess.py
parameter_space_RMS_analysis.py		parameter_space_RMS_analysis.py
parameter_space_SSE_analysis.py		parameter_space_SSE_analysis.py
parameter_space_SSE_analysis_Mie.py		parameter_space_SSE_analysis_Mie.py