GitHub - simulak1/tm-jastrows: Jastrow factors optimized for transition metal atoms.

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Jastrow factors optimized for transition metal atoms.

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Name		Name	Last commit message	Last commit date
Co+_avqz_dft_parameters.casl		Co+_avqz_dft_parameters.casl
Co+_avtz_dft_parameters.casl		Co+_avtz_dft_parameters.casl
Co_avqz_casscf_parameters.casl		Co_avqz_casscf_parameters.casl
Co_avqz_dft_parameters.casl		Co_avqz_dft_parameters.casl
Co_avtz_casscf_parameters.casl		Co_avtz_casscf_parameters.casl
Co_avtz_dft_parameters.casl		Co_avtz_dft_parameters.casl
Cr+_avqz_dft_parameters.casl		Cr+_avqz_dft_parameters.casl
Cr+_avtz_dft_parameters.casl		Cr+_avtz_dft_parameters.casl
Cr_avqz_4s13dm2_casscf_parameters.casl		Cr_avqz_4s13dm2_casscf_parameters.casl
Cr_avqz_casscf_parameters.casl		Cr_avqz_casscf_parameters.casl
Cr_avqz_dft_parameters.casl		Cr_avqz_dft_parameters.casl
Cr_avtz_4s13dm2_casscf_parameters.casl		Cr_avtz_4s13dm2_casscf_parameters.casl
Cr_avtz_casscf_parameters.casl		Cr_avtz_casscf_parameters.casl
Cr_avtz_dft_parameters.casl		Cr_avtz_dft_parameters.casl
Cu+_avqz_dft_parameters.casl		Cu+_avqz_dft_parameters.casl
Cu+_avtz_dft_parameters.casl		Cu+_avtz_dft_parameters.casl
Cu_avqz_casscf_parameters.casl		Cu_avqz_casscf_parameters.casl
Cu_avqz_dft_parameters.casl		Cu_avqz_dft_parameters.casl
Cu_avtz_casscf_parameters.casl		Cu_avtz_casscf_parameters.casl
Cu_avtz_dft_parameters.casl		Cu_avtz_dft_parameters.casl
Fe+_avqz_dft_parameters.casl		Fe+_avqz_dft_parameters.casl
Fe+_avtz_dft_parameters.casl		Fe+_avtz_dft_parameters.casl
Fe_avqz_casscf_parameters.casl		Fe_avqz_casscf_parameters.casl
Fe_avqz_dft_parameters.casl		Fe_avqz_dft_parameters.casl
Fe_avtz_casscf_parameters.casl		Fe_avtz_casscf_parameters.casl
Fe_avtz_dft_parameters.casl		Fe_avtz_dft_parameters.casl
Mn+_avqz_dft_parameters.casl		Mn+_avqz_dft_parameters.casl
Mn+_avtz_dft_parameters.casl		Mn+_avtz_dft_parameters.casl
Mn_avqz_casscf_parameters.casl		Mn_avqz_casscf_parameters.casl
Mn_avqz_dft_parameters.casl		Mn_avqz_dft_parameters.casl
Mn_avtz_casscf_parameters.casl		Mn_avtz_casscf_parameters.casl
Mn_avtz_dft_parameters.casl		Mn_avtz_dft_parameters.casl
Ni+_avqz_dft_parameters.casl		Ni+_avqz_dft_parameters.casl
Ni+_avtz_dft_parameters.casl		Ni+_avtz_dft_parameters.casl
Ni_avqz_casscf_parameters.casl		Ni_avqz_casscf_parameters.casl
Ni_avqz_dft_parameters.casl		Ni_avqz_dft_parameters.casl
Ni_avtz_casscf_parameters.casl		Ni_avtz_casscf_parameters.casl
Ni_avtz_dft_parameters.casl		Ni_avtz_dft_parameters.casl
Sc+_avqz_dft_parameters.casl		Sc+_avqz_dft_parameters.casl
Sc+_avtz_dft_parameters.casl		Sc+_avtz_dft_parameters.casl
Sc_avqz_4s13dm2_casscf_parameters.casl		Sc_avqz_4s13dm2_casscf_parameters.casl
Sc_avqz_casscf_parameters.casl		Sc_avqz_casscf_parameters.casl
Sc_avqz_dft_parameters.casl		Sc_avqz_dft_parameters.casl
Sc_avtz_4s13dm2_casscf_parameters.casl		Sc_avtz_4s13dm2_casscf_parameters.casl
Sc_avtz_casscf_parameters.casl		Sc_avtz_casscf_parameters.casl
Sc_avtz_dft_parameters.casl		Sc_avtz_dft_parameters.casl
Ti+_avqz_dft_parameters.casl		Ti+_avqz_dft_parameters.casl
Ti+_avtz_dft_parameters.casl		Ti+_avtz_dft_parameters.casl
Ti_avqz_4s13dm2_casscf_parameters.casl		Ti_avqz_4s13dm2_casscf_parameters.casl
Ti_avqz_casscf_parameters.casl		Ti_avqz_casscf_parameters.casl
Ti_avqz_dft_parameters.casl		Ti_avqz_dft_parameters.casl
Ti_avtz_4s13dm2_casscf_parameters.casl		Ti_avtz_4s13dm2_casscf_parameters.casl
Ti_avtz_casscf_parameters.casl		Ti_avtz_casscf_parameters.casl
Ti_avtz_dft_parameters.casl		Ti_avtz_dft_parameters.casl
V+_avqz_dft_parameters.casl		V+_avqz_dft_parameters.casl
V+_avtz_dft_parameters.casl		V+_avtz_dft_parameters.casl
V_avqz_4s13dm2_casscf_parameters.casl		V_avqz_4s13dm2_casscf_parameters.casl
V_avqz_casscf_parameters.casl		V_avqz_casscf_parameters.casl
V_avqz_dft_parameters.casl		V_avqz_dft_parameters.casl
V_avtz_4s13dm2_casscf_parameters.casl		V_avtz_4s13dm2_casscf_parameters.casl
V_avtz_casscf_parameters.casl		V_avtz_casscf_parameters.casl
V_avtz_dft_parameters.casl		V_avtz_dft_parameters.casl
Zn+_avqz_dft_parameters.casl		Zn+_avqz_dft_parameters.casl
Zn+_avtz_dft_parameters.casl		Zn+_avtz_dft_parameters.casl
Zn_avqz_dft_parameters.casl		Zn_avqz_dft_parameters.casl
Zn_avtz_dft_parameters.casl		Zn_avtz_dft_parameters.casl

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Jastrow factors optimized for transition metal atoms.

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