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nomad-lab
nomad-meta-info
Commits
5952bcba
Commit
5952bcba
authored
Jul 26, 2018
by
Mohamed, Fawzi Roberto (fawzi)
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133 changed files
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1902 additions
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1902 deletions
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meta_info/meta_dictionary/atomic_data.meta_dictionary.json
meta_info/meta_dictionary/atomic_data.meta_dictionary.json
+1
-1
meta_info/meta_dictionary/castep.meta_dictionary.json
meta_info/meta_dictionary/castep.meta_dictionary.json
+37
-37
meta_info/meta_dictionary/common.meta_dictionary.json
meta_info/meta_dictionary/common.meta_dictionary.json
+11
-11
meta_info/meta_dictionary/cp2k_general.meta_dictionary.json
meta_info/meta_dictionary/cp2k_general.meta_dictionary.json
+19
-19
meta_info/meta_dictionary/cpmd_general.meta_dictionary.json
meta_info/meta_dictionary/cpmd_general.meta_dictionary.json
+6
-6
meta_info/meta_dictionary/dftb_plus.meta_dictionary.json
meta_info/meta_dictionary/dftb_plus.meta_dictionary.json
+6
-6
meta_info/meta_dictionary/elastic.meta_dictionary.json
meta_info/meta_dictionary/elastic.meta_dictionary.json
+18
-18
meta_info/meta_dictionary/exciting.meta_dictionary.json
meta_info/meta_dictionary/exciting.meta_dictionary.json
+19
-19
meta_info/meta_dictionary/fhi_aims.meta_dictionary.json
meta_info/meta_dictionary/fhi_aims.meta_dictionary.json
+244
-244
meta_info/meta_dictionary/fleur.meta_dictionary.json
meta_info/meta_dictionary/fleur.meta_dictionary.json
+6
-6
meta_info/meta_dictionary/fplo.meta_dictionary.json
meta_info/meta_dictionary/fplo.meta_dictionary.json
+4
-4
meta_info/meta_dictionary/fplo_temporaries.meta_dictionary.json
...nfo/meta_dictionary/fplo_temporaries.meta_dictionary.json
+6
-6
meta_info/meta_dictionary/gamess.meta_dictionary.json
meta_info/meta_dictionary/gamess.meta_dictionary.json
+3
-3
meta_info/meta_dictionary/gaussian.meta_dictionary.json
meta_info/meta_dictionary/gaussian.meta_dictionary.json
+8
-8
meta_info/meta_dictionary/gpaw.meta_dictionary.json
meta_info/meta_dictionary/gpaw.meta_dictionary.json
+4
-4
meta_info/meta_dictionary/lib_atoms.meta_dictionary.json
meta_info/meta_dictionary/lib_atoms.meta_dictionary.json
+20
-20
meta_info/meta_dictionary/meta.meta_dictionary.json
meta_info/meta_dictionary/meta.meta_dictionary.json
+1
-1
meta_info/meta_dictionary/nwchem.meta_dictionary.json
meta_info/meta_dictionary/nwchem.meta_dictionary.json
+5
-5
meta_info/meta_dictionary/onetep.meta_dictionary.json
meta_info/meta_dictionary/onetep.meta_dictionary.json
+26
-26
meta_info/meta_dictionary/orca.meta_dictionary.json
meta_info/meta_dictionary/orca.meta_dictionary.json
+5
-5
meta_info/meta_dictionary/public.meta_dictionary.json
meta_info/meta_dictionary/public.meta_dictionary.json
+146
-146
meta_info/meta_dictionary/qbox.meta_dictionary.json
meta_info/meta_dictionary/qbox.meta_dictionary.json
+9
-9
meta_info/meta_dictionary/quantum_espresso.meta_dictionary.json
...nfo/meta_dictionary/quantum_espresso.meta_dictionary.json
+24
-24
meta_info/meta_dictionary/quasi_harmonic_properties.meta_dictionary.json
...dictionary/quasi_harmonic_properties.meta_dictionary.json
+2
-2
meta_info/meta_dictionary/turbomole.meta_dictionary.json
meta_info/meta_dictionary/turbomole.meta_dictionary.json
+50
-50
meta_info/meta_dictionary/vasp.meta_dictionary.json
meta_info/meta_dictionary/vasp.meta_dictionary.json
+217
-217
meta_info/meta_dictionary/wien2k.meta_dictionary.json
meta_info/meta_dictionary/wien2k.meta_dictionary.json
+9
-9
meta_info/nomad_meta_info/atomic_data.nomadmetainfo.json
meta_info/nomad_meta_info/atomic_data.nomadmetainfo.json
+1
-1
meta_info/nomad_meta_info/castep.nomadmetainfo.json
meta_info/nomad_meta_info/castep.nomadmetainfo.json
+37
-37
meta_info/nomad_meta_info/common.nomadmetainfo.json
meta_info/nomad_meta_info/common.nomadmetainfo.json
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-11
meta_info/nomad_meta_info/cp2k.nomadmetainfo.json
meta_info/nomad_meta_info/cp2k.nomadmetainfo.json
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-1
meta_info/nomad_meta_info/cp2k_general.nomadmetainfo.json
meta_info/nomad_meta_info/cp2k_general.nomadmetainfo.json
+3
-3
meta_info/nomad_meta_info/cpmd.nomadmetainfo.json
meta_info/nomad_meta_info/cpmd.nomadmetainfo.json
+1
-1
meta_info/nomad_meta_info/cpmd_general.nomadmetainfo.json
meta_info/nomad_meta_info/cpmd_general.nomadmetainfo.json
+6
-6
meta_info/nomad_meta_info/dftb_plus.nomadmetainfo.json
meta_info/nomad_meta_info/dftb_plus.nomadmetainfo.json
+6
-6
meta_info/nomad_meta_info/elastic.nomadmetainfo.json
meta_info/nomad_meta_info/elastic.nomadmetainfo.json
+18
-18
meta_info/nomad_meta_info/exciting.nomadmetainfo.json
meta_info/nomad_meta_info/exciting.nomadmetainfo.json
+19
-19
meta_info/nomad_meta_info/fhi_aims.nomadmetainfo.json
meta_info/nomad_meta_info/fhi_aims.nomadmetainfo.json
+224
-224
meta_info/nomad_meta_info/fleur.nomadmetainfo.json
meta_info/nomad_meta_info/fleur.nomadmetainfo.json
+6
-6
meta_info/nomad_meta_info/fplo.nomadmetainfo.json
meta_info/nomad_meta_info/fplo.nomadmetainfo.json
+6
-6
meta_info/nomad_meta_info/fplo_temporaries.nomadmetainfo.json
..._info/nomad_meta_info/fplo_temporaries.nomadmetainfo.json
+6
-6
meta_info/nomad_meta_info/gamess.nomadmetainfo.json
meta_info/nomad_meta_info/gamess.nomadmetainfo.json
+3
-3
meta_info/nomad_meta_info/gaussian.nomadmetainfo.json
meta_info/nomad_meta_info/gaussian.nomadmetainfo.json
+8
-8
meta_info/nomad_meta_info/gpaw.nomadmetainfo.json
meta_info/nomad_meta_info/gpaw.nomadmetainfo.json
+4
-4
meta_info/nomad_meta_info/lib_atoms.nomadmetainfo.json
meta_info/nomad_meta_info/lib_atoms.nomadmetainfo.json
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-20
meta_info/nomad_meta_info/nwchem.nomadmetainfo.json
meta_info/nomad_meta_info/nwchem.nomadmetainfo.json
+2
-2
meta_info/nomad_meta_info/octopus.nomadmetainfo.json
meta_info/nomad_meta_info/octopus.nomadmetainfo.json
+1
-1
meta_info/nomad_meta_info/onetep.nomadmetainfo.json
meta_info/nomad_meta_info/onetep.nomadmetainfo.json
+26
-26
meta_info/nomad_meta_info/orca.nomadmetainfo.json
meta_info/nomad_meta_info/orca.nomadmetainfo.json
+5
-5
meta_info/nomad_meta_info/public.nomadmetainfo.json
meta_info/nomad_meta_info/public.nomadmetainfo.json
+118
-118
meta_info/nomad_meta_info/qbox.nomadmetainfo.json
meta_info/nomad_meta_info/qbox.nomadmetainfo.json
+9
-9
meta_info/nomad_meta_info/quantum_espresso.nomadmetainfo.json
..._info/nomad_meta_info/quantum_espresso.nomadmetainfo.json
+20
-20
meta_info/nomad_meta_info/quasi_harmonic_properties.nomadmetainfo.json
...ad_meta_info/quasi_harmonic_properties.nomadmetainfo.json
+1
-1
meta_info/nomad_meta_info/siesta.nomadmetainfo.json
meta_info/nomad_meta_info/siesta.nomadmetainfo.json
+1
-1
meta_info/nomad_meta_info/turbomole.nomadmetainfo.json
meta_info/nomad_meta_info/turbomole.nomadmetainfo.json
+50
-50
meta_info/nomad_meta_info/vasp.nomadmetainfo.json
meta_info/nomad_meta_info/vasp.nomadmetainfo.json
+217
-217
meta_info/nomad_meta_info/wien2k.nomadmetainfo.json
meta_info/nomad_meta_info/wien2k.nomadmetainfo.json
+9
-9
meta_info_exploded/common.meta_dictionary/dft_plus_u_orbital_j.meta_info_entry.json
...meta_dictionary/dft_plus_u_orbital_j.meta_info_entry.json
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-1
meta_info_exploded/common.meta_dictionary/dft_plus_u_orbital_u.meta_info_entry.json
...meta_dictionary/dft_plus_u_orbital_u.meta_info_entry.json
+1
-1
meta_info_exploded/common.meta_dictionary/dft_plus_u_orbital_u_effective.meta_info_entry.json
...onary/dft_plus_u_orbital_u_effective.meta_info_entry.json
+1
-1
meta_info_exploded/common.meta_dictionary/energy_c_mgga.meta_info_entry.json
...common.meta_dictionary/energy_c_mgga.meta_info_entry.json
+2
-2
meta_info_exploded/common.meta_dictionary/energy_x_mgga.meta_info_entry.json
...common.meta_dictionary/energy_x_mgga.meta_info_entry.json
+2
-2
meta_info_exploded/common.meta_dictionary/energy_x_mgga_scaled.meta_info_entry.json
...meta_dictionary/energy_x_mgga_scaled.meta_info_entry.json
+1
-1
meta_info_exploded/common.meta_dictionary/gw_screened_coulomb.meta_info_entry.json
....meta_dictionary/gw_screened_coulomb.meta_info_entry.json
+1
-1
meta_info_exploded/common.meta_dictionary/gw_starting_point.meta_info_entry.json
...on.meta_dictionary/gw_starting_point.meta_info_entry.json
+1
-1
meta_info_exploded/common.meta_dictionary/soap_angular_basis_l.meta_info_entry.json
...meta_dictionary/soap_angular_basis_l.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/atom_forces_t0.meta_info_entry.json
...ublic.meta_dictionary/atom_forces_t0.meta_info_entry.json
+2
-2
meta_info_exploded/public.meta_dictionary/atom_forces_t0_raw.meta_info_entry.json
...c.meta_dictionary/atom_forces_t0_raw.meta_info_entry.json
+4
-4
meta_info_exploded/public.meta_dictionary/basis_set.meta_info_entry.json
...ded/public.meta_dictionary/basis_set.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/calculation_method_current.meta_info_entry.json
...ictionary/calculation_method_current.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/electronic_kinetic_energy.meta_info_entry.json
...dictionary/electronic_kinetic_energy.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/electronic_kinetic_energy_scf_iteration.meta_info_entry.json
...ctronic_kinetic_energy_scf_iteration.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/electronic_structure_method.meta_info_entry.json
...ctionary/electronic_structure_method.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/energy_c.meta_info_entry.json
...oded/public.meta_dictionary/energy_c.meta_info_entry.json
+3
-3
meta_info_exploded/public.meta_dictionary/energy_correction_entropy.meta_info_entry.json
...dictionary/energy_correction_entropy.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/energy_correction_entropy_scf_iteration.meta_info_entry.json
...rgy_correction_entropy_scf_iteration.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/energy_correction_hartree.meta_info_entry.json
...dictionary/energy_correction_hartree.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/energy_correction_hartree_scf_iteration.meta_info_entry.json
...rgy_correction_hartree_scf_iteration.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/energy_free.meta_info_entry.json
...d/public.meta_dictionary/energy_free.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/energy_free_per_atom.meta_info_entry.json
...meta_dictionary/energy_free_per_atom.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/energy_free_per_atom_scf_iteration.meta_info_entry.json
...y/energy_free_per_atom_scf_iteration.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/energy_free_scf_iteration.meta_info_entry.json
...dictionary/energy_free_scf_iteration.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/energy_hartree_error.meta_info_entry.json
...meta_dictionary/energy_hartree_error.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/energy_hartree_error_scf_iteration.meta_info_entry.json
...y/energy_hartree_error_scf_iteration.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/energy_hartree_fock_x.meta_info_entry.json
...eta_dictionary/energy_hartree_fock_x.meta_info_entry.json
+3
-3
meta_info_exploded/public.meta_dictionary/energy_hartree_fock_x_scaled.meta_info_entry.json
...tionary/energy_hartree_fock_x_scaled.meta_info_entry.json
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-2
meta_info_exploded/public.meta_dictionary/energy_sum_eigenvalues.meta_info_entry.json
...ta_dictionary/energy_sum_eigenvalues.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/energy_sum_eigenvalues_per_atom.meta_info_entry.json
...nary/energy_sum_eigenvalues_per_atom.meta_info_entry.json
+1
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meta_info_exploded/public.meta_dictionary/energy_sum_eigenvalues_per_atom_scf_iteration.meta_info_entry.json
...m_eigenvalues_per_atom_scf_iteration.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/energy_sum_eigenvalues_scf_iteration.meta_info_entry.json
...energy_sum_eigenvalues_scf_iteration.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/energy_t0_per_atom.meta_info_entry.json
...c.meta_dictionary/energy_t0_per_atom.meta_info_entry.json
+2
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meta_info_exploded/public.meta_dictionary/energy_total.meta_info_entry.json
.../public.meta_dictionary/energy_total.meta_info_entry.json
+1
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meta_info_exploded/public.meta_dictionary/energy_total_scf_iteration.meta_info_entry.json
...ictionary/energy_total_scf_iteration.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/energy_total_t0.meta_info_entry.json
...blic.meta_dictionary/energy_total_t0.meta_info_entry.json
+2
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meta_info_exploded/public.meta_dictionary/energy_total_t0_per_atom.meta_info_entry.json
..._dictionary/energy_total_t0_per_atom.meta_info_entry.json
+2
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meta_info_exploded/public.meta_dictionary/energy_total_t0_per_atom_scf_iteration.meta_info_entry.json
...ergy_total_t0_per_atom_scf_iteration.meta_info_entry.json
+2
-2
meta_info_exploded/public.meta_dictionary/energy_total_t0_scf_iteration.meta_info_entry.json
...ionary/energy_total_t0_scf_iteration.meta_info_entry.json
+2
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meta_info_exploded/public.meta_dictionary/energy_type_c.meta_info_entry.json
...public.meta_dictionary/energy_type_c.meta_info_entry.json
+1
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meta_info_exploded/public.meta_dictionary/energy_type_van_der_waals.meta_info_entry.json
...dictionary/energy_type_van_der_waals.meta_info_entry.json
+1
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meta_info_exploded/public.meta_dictionary/energy_type_x.meta_info_entry.json
...public.meta_dictionary/energy_type_x.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/energy_type_xc.meta_info_entry.json
...ublic.meta_dictionary/energy_type_xc.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/energy_van_der_waals.meta_info_entry.json
...meta_dictionary/energy_van_der_waals.meta_info_entry.json
+4
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meta_info_exploded/public.meta_dictionary/energy_van_der_waals_kind.meta_info_entry.json
...dictionary/energy_van_der_waals_kind.meta_info_entry.json
+4
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meta_info_exploded/public.meta_dictionary/energy_van_der_waals_value.meta_info_entry.json
...ictionary/energy_van_der_waals_value.meta_info_entry.json
+6
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meta_info_exploded/public.meta_dictionary/energy_x.meta_info_entry.json
...oded/public.meta_dictionary/energy_x.meta_info_entry.json
+3
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meta_info_exploded/public.meta_dictionary/energy_xc.meta_info_entry.json
...ded/public.meta_dictionary/energy_xc.meta_info_entry.json
+3
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meta_info_exploded/public.meta_dictionary/energy_xc_functional.meta_info_entry.json
...meta_dictionary/energy_xc_functional.meta_info_entry.json
+3
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meta_info_exploded/public.meta_dictionary/energy_xc_potential.meta_info_entry.json
....meta_dictionary/energy_xc_potential.meta_info_entry.json
+2
-2
meta_info_exploded/public.meta_dictionary/energy_xc_potential_scf_iteration.meta_info_entry.json
...ry/energy_xc_potential_scf_iteration.meta_info_entry.json
+3
-3
meta_info_exploded/public.meta_dictionary/energy_xc_scf_iteration.meta_info_entry.json
...a_dictionary/energy_xc_scf_iteration.meta_info_entry.json
+2
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meta_info_exploded/public.meta_dictionary/sc_matrix.meta_info_entry.json
...ded/public.meta_dictionary/sc_matrix.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/section_energy_van_der_waals.meta_info_entry.json
...tionary/section_energy_van_der_waals.meta_info_entry.json
+4
-4
meta_info_exploded/public.meta_dictionary/section_xc_functionals.meta_info_entry.json
...ta_dictionary/section_xc_functionals.meta_info_entry.json
+3
-3
meta_info_exploded/public.meta_dictionary/settings_gw.meta_info_entry.json
...d/public.meta_dictionary/settings_gw.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/settings_mcscf.meta_info_entry.json
...ublic.meta_dictionary/settings_mcscf.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/settings_monte_carlo.meta_info_entry.json
...meta_dictionary/settings_monte_carlo.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/settings_post_hartree_fock.meta_info_entry.json
...ictionary/settings_post_hartree_fock.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/settings_relativity.meta_info_entry.json
....meta_dictionary/settings_relativity.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/settings_self_interaction_correction.meta_info_entry.json
...settings_self_interaction_correction.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/settings_van_der_waals.meta_info_entry.json
...ta_dictionary/settings_van_der_waals.meta_info_entry.json
+3
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meta_info_exploded/public.meta_dictionary/settings_xc.meta_info_entry.json
...d/public.meta_dictionary/settings_xc.meta_info_entry.json
+1
-1
meta_info_exploded/public.meta_dictionary/settings_xc_functional.meta_info_entry.json
...ta_dictionary/settings_xc_functional.meta_info_entry.json
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meta_info_exploded/public.meta_dictionary/spin_s2.meta_info_entry.json
...loded/public.meta_dictionary/spin_s2.meta_info_entry.json
+2
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meta_info_exploded/public.meta_dictionary/spin_s2_scf_iteration.meta_info_entry.json
...eta_dictionary/spin_s2_scf_iteration.meta_info_entry.json
+2
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meta_info_exploded/public.meta_dictionary/spin_target_multiplicity.meta_info_entry.json
..._dictionary/spin_target_multiplicity.meta_info_entry.json
+1
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meta_info_exploded/public.meta_dictionary/thermodynamical_property_heat_capacity_c_v.meta_info_entry.json
...dynamical_property_heat_capacity_c_v.meta_info_entry.json
+1
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meta_info_exploded/public.meta_dictionary/van_der_waals_method.meta_info_entry.json
...meta_dictionary/van_der_waals_method.meta_info_entry.json
+3
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meta_info_exploded/public.meta_dictionary/xc_functional.meta_info_entry.json
...public.meta_dictionary/xc_functional.meta_info_entry.json
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meta_info_exploded/public.meta_dictionary/xc_functional_name.meta_info_entry.json
...c.meta_dictionary/xc_functional_name.meta_info_entry.json
+5
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meta_info_exploded/public.meta_dictionary/xc_functional_parameters.meta_info_entry.json
..._dictionary/xc_functional_parameters.meta_info_entry.json
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meta_info_exploded/public.meta_dictionary/xc_functional_weight.meta_info_entry.json
...meta_dictionary/xc_functional_weight.meta_info_entry.json
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meta_info_exploded/public.meta_dictionary/xc_method.meta_info_entry.json
...ded/public.meta_dictionary/xc_method.meta_info_entry.json
+5
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meta_info_exploded/public.meta_dictionary/xc_method_current.meta_info_entry.json
...ic.meta_dictionary/xc_method_current.meta_info_entry.json
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No files found.
meta_info/meta_dictionary/atomic_data.meta_dictionary.json
View file @
5952bcba
...
...
@@ -352,7 +352,7 @@
"meta_units"
:
""
,
"shortname"
:
"index_d"
},{
"meta_name"
:
"atomic_reference_
doi
"
,
"meta_name"
:
"atomic_reference_
DOI
"
,
"meta_type"
:
"type-value"
,
"meta_description"
:[
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...
meta_info/meta_dictionary/common.meta_dictionary.json
View file @
5952bcba
...
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View file @
5952bcba
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...
...
@@ -1122,7 +1122,7 @@
"meta_description"
:
"D3 settings."
,
"meta_parent_section"
:
"x_cp2k_section_vdw_settings"
,
"meta_abstract_types"
:[
"settings_van_der_
w
aals"
],
"settings_van_der_
W
aals"
],
"meta_repeats"
:
true
,
"meta_context_identifier"
:[]
},{
...
...
@@ -1131,7 +1131,7 @@
"meta_description"
:
"Contains element-specific Van der Waals settings."
,
"meta_parent_section"
:
"x_cp2k_section_vdw_d2_settings"
,
"meta_abstract_types"
:[
"settings_van_der_
w
aals"
],
"settings_van_der_
W
aals"
],
"meta_repeats"
:
true
,
"meta_context_identifier"
:[]
},{
...
...
@@ -1140,7 +1140,7 @@
"meta_description"
:
"Van der Waals settings."
,
"meta_parent_section"
:
"section_method"
,
"meta_abstract_types"
:[
"settings_van_der_
w
aals"
],
"settings_van_der_
W
aals"
],
"meta_repeats"
:
true
,
"meta_context_identifier"
:[]
},{
...
...
@@ -1276,7 +1276,7 @@
"meta_description"
:
"Name of the BJ damping method."
,
"meta_parent_section"
:
"x_cp2k_section_vdw_settings"
,
"meta_abstract_types"
:[
"settings_van_der_
w
aals"
],
"settings_van_der_
W
aals"
],
"meta_data_type"
:
"string"
},{
"meta_name"
:
"x_cp2k_vdw_cn_cutoff"
,
...
...
@@ -1284,7 +1284,7 @@
"meta_description"
:
"Cutoff for CN calculation."
,
"meta_parent_section"
:
"x_cp2k_section_vdw_d3_settings"
,
"meta_abstract_types"
:[
"settings_van_der_
w
aals"
],
"settings_van_der_
W
aals"
],
"meta_data_type"
:
"float"
},{
"meta_name"
:
"x_cp2k_vdw_cutoff_radius"
,
...
...
@@ -1292,7 +1292,7 @@
"meta_description"
:
"Cutoff radius of the van der Waals method."
,
"meta_parent_section"
:
"x_cp2k_section_vdw_settings"
,
"meta_abstract_types"
:[
"settings_van_der_
w
aals"
],
"settings_van_der_
W
aals"
],
"meta_data_type"
:
"string"
},{
"meta_name"
:
"x_cp2k_vdw_damping_factor"
,
...
...
@@ -1302,7 +1302,7 @@
"method."
],
"meta_parent_section"
:
"x_cp2k_section_vdw_d2_settings"
,
"meta_abstract_types"
:[
"settings_van_der_
w
aals"
],
"settings_van_der_
W
aals"
],
"meta_data_type"
:
"string"
},{
"meta_name"
:
"x_cp2k_vdw_name"
,
...
...
@@ -1310,7 +1310,7 @@
"meta_description"
:
"Name of the van der Waals method."
,
"meta_parent_section"
:
"x_cp2k_section_vdw_settings"
,
"meta_abstract_types"
:[
"settings_van_der_
w
aals"
],
"settings_van_der_
W
aals"
],
"meta_data_type"
:
"string"
},{
"meta_name"
:
"x_cp2k_vdw_parameter_c6"
,
...
...
@@ -1318,7 +1318,7 @@
"meta_description"
:
"C6 parameter."
,
"meta_parent_section"
:
"x_cp2k_section_vdw_element_settings"
,
"meta_abstract_types"
:[
"settings_van_der_
w
aals"
],
"settings_van_der_
W
aals"
],
"meta_data_type"
:
"float"
},{
"meta_name"
:
"x_cp2k_vdw_parameter_element_name"
,
...
...
@@ -1326,7 +1326,7 @@
"meta_description"
:
"Name of the element."
,
"meta_parent_section"
:
"x_cp2k_section_vdw_element_settings"
,
"meta_abstract_types"
:[
"settings_van_der_
w
aals"
],
"settings_van_der_
W
aals"
],
"meta_data_type"
:
"string"
},{
"meta_name"
:
"x_cp2k_vdw_parameter_radius"
,
...
...
@@ -1334,7 +1334,7 @@
"meta_description"
:
"Radius parameter."
,
"meta_parent_section"
:
"x_cp2k_section_vdw_element_settings"
,
"meta_abstract_types"
:[
"settings_van_der_
w
aals"
],
"settings_van_der_
W
aals"
],
"meta_data_type"
:
"float"
},{
"meta_name"
:
"x_cp2k_vdw_s6_scaling_factor"
,
...
...
@@ -1342,7 +1342,7 @@
"meta_description"
:
"S6 scaling factor."
,
"meta_parent_section"
:
"x_cp2k_section_vdw_d3_settings"
,
"meta_abstract_types"
:[
"settings_van_der_
w
aals"
],
"settings_van_der_
W
aals"
],
"meta_data_type"
:
"float"
},{
"meta_name"
:
"x_cp2k_vdw_s8_scaling_factor"
,
...
...
@@ -1350,7 +1350,7 @@
"meta_description"
:
"S8 scaling factor."
,
"meta_parent_section"
:
"x_cp2k_section_vdw_d3_settings"
,
"meta_abstract_types"
:[
"settings_van_der_
w
aals"
],
"settings_van_der_
W
aals"
],
"meta_data_type"
:
"float"
},{
"meta_name"
:
"x_cp2k_vdw_scaling_factor"
,
...
...
@@ -1358,7 +1358,7 @@
"meta_description"
:
"Scaling factor."
,
"meta_parent_section"
:
"x_cp2k_section_vdw_d2_settings"
,
"meta_abstract_types"
:[
"settings_van_der_
w
aals"
],
"settings_van_der_
W
aals"
],
"meta_data_type"
:
"float"
},{
"meta_name"
:
"x_cp2k_vdw_sr6_scaling_factor"
,
...
...
@@ -1366,7 +1366,7 @@
"meta_description"
:
"SR6 scaling factor."
,
"meta_parent_section"
:
"x_cp2k_section_vdw_d3_settings"
,
"meta_abstract_types"
:[
"settings_van_der_
w
aals"
],
"settings_van_der_
W
aals"
],
"meta_data_type"
:
"float"
},{
"meta_name"
:
"x_cp2k_vdw_type"
,
...
...
@@ -1374,7 +1374,7 @@
"meta_description"
:
"Type of the van der Waals method."
,
"meta_parent_section"
:
"x_cp2k_section_vdw_settings"
,
"meta_abstract_types"
:[
"settings_van_der_
w
aals"
],
"settings_van_der_
W
aals"
],
"meta_data_type"
:
"string"
}]
}
meta_info/meta_dictionary/cpmd_general.meta_dictionary.json
View file @
5952bcba
...
...
@@ -388,19 +388,19 @@
"meta_data_type"
:
"float"
,
"unit"
:
"K"
},{
"meta_name"
:
"x_cpmd_lattice_vector_
a
1"
,
"meta_name"
:
"x_cpmd_lattice_vector_
A
1"
,
"meta_type"
:
"type-value"
,
"meta_description"
:
"Lattice vector A1"
,
"meta_parent_section"
:
"x_cpmd_section_supercell"
,
"meta_data_type"
:
"string"
},{
"meta_name"
:
"x_cpmd_lattice_vector_
a
2"
,
"meta_name"
:
"x_cpmd_lattice_vector_
A
2"
,
"meta_type"
:
"type-value"
,
"meta_description"
:
"Lattice vector A2"
,
"meta_parent_section"
:
"x_cpmd_section_supercell"
,
"meta_data_type"
:
"string"
},{
"meta_name"
:
"x_cpmd_lattice_vector_
a
3"
,
"meta_name"
:
"x_cpmd_lattice_vector_
A
3"
,
"meta_type"
:
"type-value"
,
"meta_description"
:
"Lattice vector A3"
,
"meta_parent_section"
:
"x_cpmd_section_supercell"
,
...
...
@@ -472,19 +472,19 @@
"meta_parent_section"
:
"x_cpmd_section_supercell"
,
"meta_data_type"
:
"string"
},{
"meta_name"
:
"x_cpmd_reciprocal_lattice_vector_
b
1"
,
"meta_name"
:
"x_cpmd_reciprocal_lattice_vector_
B
1"
,
"meta_type"
:
"type-value"
,
"meta_description"
:
"Reciprocal lattice vector B1"
,
"meta_parent_section"
:
"x_cpmd_section_supercell"
,
"meta_data_type"
:
"string"
},{
"meta_name"
:
"x_cpmd_reciprocal_lattice_vector_
b
2"
,
"meta_name"
:
"x_cpmd_reciprocal_lattice_vector_
B
2"
,
"meta_type"
:
"type-value"
,
"meta_description"
:
"Reciprocal lattice vector B2"
,
"meta_parent_section"
:
"x_cpmd_section_supercell"
,
"meta_data_type"
:
"string"
},{
"meta_name"
:
"x_cpmd_reciprocal_lattice_vector_
b
3"
,
"meta_name"
:
"x_cpmd_reciprocal_lattice_vector_
B
3"
,
"meta_type"
:
"type-value"
,
"meta_description"
:
"Reciprocal lattice vector B3"
,
"meta_parent_section"
:
"x_cpmd_section_supercell"
,
...
...
meta_info/meta_dictionary/dftb_plus.meta_dictionary.json
View file @
5952bcba
...
...
@@ -33,42 +33,42 @@
"energy_total_potential"
],
"meta_data_type"
:
"float"