CHANGELOG.md
LICENSE
MANIFEST.in
README.md
pyproject.toml
setup.py
eminus/README.md
eminus/__init__.py
eminus/atoms.py
eminus/config.py
eminus/data.py
eminus/dft.py
eminus/domains.py
eminus/energies.py
eminus/gga.py
eminus/gth.py
eminus/localizer.py
eminus/logger.py
eminus/minimizer.py
eminus/occupations.py
eminus/operators.py
eminus/orbitals.py
eminus/potentials.py
eminus/scf.py
eminus/tools.py
eminus/units.py
eminus/utils.py
eminus/version.py
eminus.egg-info/PKG-INFO
eminus.egg-info/SOURCES.txt
eminus.egg-info/dependency_links.txt
eminus.egg-info/requires.txt
eminus.egg-info/top_level.txt
eminus/extras/README.md
eminus/extras/__init__.py
eminus/extras/dispersion.py
eminus/extras/fods.py
eminus/extras/libxc.py
eminus/extras/torch.py
eminus/extras/viewer.py
eminus/io/README.md
eminus/io/__init__.py
eminus/io/cube.py
eminus/io/gth.py
eminus/io/json.py
eminus/io/pdb.py
eminus/io/xyz.py
eminus/psp/__init__.py
eminus/psp/pade/Ac-q11
eminus/psp/pade/Ac-q29
eminus/psp/pade/Ag-q1
eminus/psp/pade/Ag-q11
eminus/psp/pade/Ag-q19
eminus/psp/pade/Al-q3
eminus/psp/pade/Am-q17
eminus/psp/pade/Am-q35
eminus/psp/pade/Ar-q8
eminus/psp/pade/As-q5
eminus/psp/pade/At-q7
eminus/psp/pade/Au-q1
eminus/psp/pade/Au-q11
eminus/psp/pade/Au-q19
eminus/psp/pade/B-q3
eminus/psp/pade/Ba-q10
eminus/psp/pade/Ba-q2
eminus/psp/pade/Be-q2
eminus/psp/pade/Be-q4
eminus/psp/pade/Bi-q5
eminus/psp/pade/Bk-q19
eminus/psp/pade/Bk-q37
eminus/psp/pade/Br-q7
eminus/psp/pade/C-q4
eminus/psp/pade/Ca-q10
eminus/psp/pade/Ca-q2
eminus/psp/pade/Cd-q12
eminus/psp/pade/Cd-q2
eminus/psp/pade/Ce-q12
eminus/psp/pade/Cf-q20
eminus/psp/pade/Cf-q38
eminus/psp/pade/Cl-q7
eminus/psp/pade/Cm-q18
eminus/psp/pade/Cm-q36
eminus/psp/pade/Co-q17
eminus/psp/pade/Co-q9
eminus/psp/pade/Cr-q14
eminus/psp/pade/Cr-q6
eminus/psp/pade/Cs-q1
eminus/psp/pade/Cs-q9
eminus/psp/pade/Cu-q1
eminus/psp/pade/Cu-q11
eminus/psp/pade/Cu-q19
eminus/psp/pade/Dy-q20
eminus/psp/pade/Er-q22
eminus/psp/pade/Es-q21
eminus/psp/pade/Es-q39
eminus/psp/pade/Eu-q17
eminus/psp/pade/F-q7
eminus/psp/pade/Fe-q16
eminus/psp/pade/Fe-q8
eminus/psp/pade/Fm-q22
eminus/psp/pade/Fm-q40
eminus/psp/pade/Ga-q13
eminus/psp/pade/Ga-q3
eminus/psp/pade/Gd-q18
eminus/psp/pade/Ge-q4
eminus/psp/pade/H-q1
eminus/psp/pade/He-q2
eminus/psp/pade/Hf-q12
eminus/psp/pade/Hg-q12
eminus/psp/pade/Hg-q2
eminus/psp/pade/Ho-q21
eminus/psp/pade/I-q7
eminus/psp/pade/In-q13
eminus/psp/pade/In-q3
eminus/psp/pade/Ir-q17
eminus/psp/pade/Ir-q9
eminus/psp/pade/K-q1
eminus/psp/pade/K-q9
eminus/psp/pade/Kr-q8
eminus/psp/pade/La-q11
eminus/psp/pade/Li-q1
eminus/psp/pade/Li-q3
eminus/psp/pade/Lr-q25
eminus/psp/pade/Lr-q43
eminus/psp/pade/Lu-q25
eminus/psp/pade/Md-q23
eminus/psp/pade/Md-q41
eminus/psp/pade/Mg-q10
eminus/psp/pade/Mg-q2
eminus/psp/pade/Mn-q15
eminus/psp/pade/Mn-q7
eminus/psp/pade/Mo-q14
eminus/psp/pade/Mo-q6
eminus/psp/pade/N-q5
eminus/psp/pade/Na-q1
eminus/psp/pade/Na-q9
eminus/psp/pade/Nb-q13
eminus/psp/pade/Nb-q5
eminus/psp/pade/Nd-q14
eminus/psp/pade/Ne-q8
eminus/psp/pade/Ni-q10
eminus/psp/pade/Ni-q18
eminus/psp/pade/No-q24
eminus/psp/pade/No-q42
eminus/psp/pade/Np-q15
eminus/psp/pade/Np-q33
eminus/psp/pade/O-q6
eminus/psp/pade/Os-q16
eminus/psp/pade/Os-q8
eminus/psp/pade/P-q5
eminus/psp/pade/Pa-q13
eminus/psp/pade/Pa-q31
eminus/psp/pade/Pb-q4
eminus/psp/pade/Pd-q10
eminus/psp/pade/Pd-q18
eminus/psp/pade/Pm-q15
eminus/psp/pade/Po-q6
eminus/psp/pade/Pr-q13
eminus/psp/pade/Pt-q10
eminus/psp/pade/Pt-q18
eminus/psp/pade/Pu-q16
eminus/psp/pade/Pu-q34
eminus/psp/pade/Rb-q1
eminus/psp/pade/Rb-q9
eminus/psp/pade/Re-q15
eminus/psp/pade/Re-q7
eminus/psp/pade/Rh-q17
eminus/psp/pade/Rh-q9
eminus/psp/pade/Rn-q8
eminus/psp/pade/Ru-q16
eminus/psp/pade/Ru-q8
eminus/psp/pade/S-q6
eminus/psp/pade/Sb-q5
eminus/psp/pade/Sc-q11
eminus/psp/pade/Sc-q3
eminus/psp/pade/Se-q6
eminus/psp/pade/Si-q4
eminus/psp/pade/Sm-q16
eminus/psp/pade/Sn-q4
eminus/psp/pade/Sr-q10
eminus/psp/pade/Sr-q2
eminus/psp/pade/Ta-q13
eminus/psp/pade/Ta-q5
eminus/psp/pade/Tb-q19
eminus/psp/pade/Tc-q15
eminus/psp/pade/Tc-q7
eminus/psp/pade/Te-q6
eminus/psp/pade/Th-q12
eminus/psp/pade/Th-q30
eminus/psp/pade/Ti-q12
eminus/psp/pade/Ti-q4
eminus/psp/pade/Tl-q13
eminus/psp/pade/Tl-q3
eminus/psp/pade/Tm-q23
eminus/psp/pade/U-q14
eminus/psp/pade/U-q32
eminus/psp/pade/V-q13
eminus/psp/pade/V-q5
eminus/psp/pade/W-q14
eminus/psp/pade/W-q6
eminus/psp/pade/Xe-q8
eminus/psp/pade/Y-q11
eminus/psp/pade/Y-q3
eminus/psp/pade/Yb-q24
eminus/psp/pade/Zn-q12
eminus/psp/pade/Zn-q2
eminus/psp/pade/Zn-q20
eminus/psp/pade/Zr-q12
eminus/psp/pade/Zr-q4
eminus/psp/pade/__init__.py
eminus/psp/pbe/Ac-q11
eminus/psp/pbe/Ac-q29
eminus/psp/pbe/Ag-q11
eminus/psp/pbe/Ag-q19
eminus/psp/pbe/Al-q3
eminus/psp/pbe/Am-q17
eminus/psp/pbe/Am-q35
eminus/psp/pbe/Ar-q8
eminus/psp/pbe/As-q5
eminus/psp/pbe/At-q7
eminus/psp/pbe/Au-q11
eminus/psp/pbe/Au-q19
eminus/psp/pbe/B-q3
eminus/psp/pbe/Ba-q10
eminus/psp/pbe/Be-q4
eminus/psp/pbe/Bi-q15
eminus/psp/pbe/Bi-q5
eminus/psp/pbe/Bk-q19
eminus/psp/pbe/Bk-q37
eminus/psp/pbe/Br-q7
eminus/psp/pbe/C-q4
eminus/psp/pbe/Ca-q10
eminus/psp/pbe/Cd-q12
eminus/psp/pbe/Ce-q12
eminus/psp/pbe/Ce-q30
eminus/psp/pbe/Cf-q20
eminus/psp/pbe/Cf-q38
eminus/psp/pbe/Cl-q7
eminus/psp/pbe/Cm-q18
eminus/psp/pbe/Cm-q36
eminus/psp/pbe/Co-q17
eminus/psp/pbe/Cr-q14
eminus/psp/pbe/Cs-q9
eminus/psp/pbe/Cu-q11
eminus/psp/pbe/Cu-q19
eminus/psp/pbe/Dy-q20
eminus/psp/pbe/Er-q22
eminus/psp/pbe/Es-q21
eminus/psp/pbe/Es-q39
eminus/psp/pbe/Eu-q17
eminus/psp/pbe/F-q7
eminus/psp/pbe/Fe-q16
eminus/psp/pbe/Fm-q22
eminus/psp/pbe/Fm-q40
eminus/psp/pbe/Ga-q13
eminus/psp/pbe/Ga-q3
eminus/psp/pbe/Gd-q18
eminus/psp/pbe/Ge-q4
eminus/psp/pbe/H-q1
eminus/psp/pbe/He-q2
eminus/psp/pbe/Hf-q12
eminus/psp/pbe/Hg-q12
eminus/psp/pbe/Ho-q21
eminus/psp/pbe/I-q7
eminus/psp/pbe/In-q13
eminus/psp/pbe/In-q3
eminus/psp/pbe/Ir-q17
eminus/psp/pbe/Ir-q9
eminus/psp/pbe/K-q9
eminus/psp/pbe/Kr-q8
eminus/psp/pbe/La-q11
eminus/psp/pbe/Li-q3
eminus/psp/pbe/Lr-q25
eminus/psp/pbe/Lr-q43
eminus/psp/pbe/Lu-q25
eminus/psp/pbe/Md-q23
eminus/psp/pbe/Md-q41
eminus/psp/pbe/Mg-q10
eminus/psp/pbe/Mg-q2
eminus/psp/pbe/Mn-q15
eminus/psp/pbe/Mo-q14
eminus/psp/pbe/N-q5
eminus/psp/pbe/Na-q1
eminus/psp/pbe/Na-q9
eminus/psp/pbe/Nb-q13
eminus/psp/pbe/Nd-q14
eminus/psp/pbe/Ne-q8
eminus/psp/pbe/Ni-q18
eminus/psp/pbe/No-q24
eminus/psp/pbe/No-q42
eminus/psp/pbe/Np-q15
eminus/psp/pbe/Np-q33
eminus/psp/pbe/O-q6
eminus/psp/pbe/Os-q16
eminus/psp/pbe/Os-q8
eminus/psp/pbe/P-q5
eminus/psp/pbe/Pa-q13
eminus/psp/pbe/Pa-q31
eminus/psp/pbe/Pb-q14
eminus/psp/pbe/Pb-q4
eminus/psp/pbe/Pd-q10
eminus/psp/pbe/Pd-q18
eminus/psp/pbe/Pm-q15
eminus/psp/pbe/Po-q6
eminus/psp/pbe/Pr-q13
eminus/psp/pbe/Pt-q10
eminus/psp/pbe/Pt-q18
eminus/psp/pbe/Pu-q16
eminus/psp/pbe/Pu-q34
eminus/psp/pbe/Rb-q9
eminus/psp/pbe/Re-q15
eminus/psp/pbe/Re-q7
eminus/psp/pbe/Rh-q17
eminus/psp/pbe/Rh-q9
eminus/psp/pbe/Rn-q8
eminus/psp/pbe/Ru-q16
eminus/psp/pbe/Ru-q8
eminus/psp/pbe/S-q6
eminus/psp/pbe/Sb-q5
eminus/psp/pbe/Sc-q11
eminus/psp/pbe/Se-q6
eminus/psp/pbe/Si-q4
eminus/psp/pbe/Sm-q16
eminus/psp/pbe/Sn-q4
eminus/psp/pbe/Sr-q10
eminus/psp/pbe/Ta-q13
eminus/psp/pbe/Ta-q5
eminus/psp/pbe/Tb-q19
eminus/psp/pbe/Tc-q15
eminus/psp/pbe/Te-q6
eminus/psp/pbe/Th-q12
eminus/psp/pbe/Th-q30
eminus/psp/pbe/Ti-q12
eminus/psp/pbe/Tl-q13
eminus/psp/pbe/Tl-q3
eminus/psp/pbe/Tm-q23
eminus/psp/pbe/U-q14
eminus/psp/pbe/U-q14_old
eminus/psp/pbe/U-q32
eminus/psp/pbe/V-q13
eminus/psp/pbe/W-q14
eminus/psp/pbe/W-q6
eminus/psp/pbe/Xe-q8
eminus/psp/pbe/Y-q11
eminus/psp/pbe/Yb-q24
eminus/psp/pbe/Zn-q12
eminus/psp/pbe/Zn-q20
eminus/psp/pbe/Zr-q12
eminus/psp/pbe/__init__.py
eminus/xc/README.md
eminus/xc/__init__.py
eminus/xc/gga_c_chachiyo.py
eminus/xc/gga_c_pbe.py
eminus/xc/gga_c_pbe_sol.py
eminus/xc/gga_x_chachiyo.py
eminus/xc/gga_x_pbe.py
eminus/xc/gga_x_pbe_sol.py
eminus/xc/lda_c_chachiyo.py
eminus/xc/lda_c_chachiyo_mod.py
eminus/xc/lda_c_pw.py
eminus/xc/lda_c_pw_mod.py
eminus/xc/lda_c_vwn.py
eminus/xc/lda_x.py
eminus/xc/utils.py