Upload 2 files

module-names-107.csv

@@ -0,0 +1,108 @@
+module_names
+Dipole_M
+Dispersion_E
+Ea_log_wo_cell
+Electronic_E
+HL_Gap
+HOMO_Energy
+LUMO_Energy
+Metal_q
+Polarizability
+adsorption_energy
+castelli_eform
+cepdb_jsc
+cepdb_pce
+cepdb_voc
+dH_log_wo_cell
+dos_fermi_level
+dos_homo
+dos_lumo
+dos_peak_after_lumo
+dos_peak_before_homo
+gibbs_free_energy
+hoip_diele_const_electronic
+hoip_diele_const_ionic
+hoip_diele_const_total
+hoip_refractive_idx
+jarvis_bandgap
+jarvis_dfpt_piezo_max_dij
+jarvis_dfpt_piezo_max_eij
+jarvis_dielectric_opt
+jarvis_eform
+jarvis_gvrh
+jarvis_kvrh
+jarvis_ncond
+jarvis_nkappa
+jarvis_pcond
+jarvis_pkappa
+jarvis_total_energy
+mof_ch4pre35_adsorption
+mof_co2pre2.5_adsorption
+mof_h2pre2_adsorption
+mof_n2pre0.9_adsorption
+mp_bandgap
+mp_efermi
+mp_eform
+mp_energy_above_hull
+mp_gvrh
+mp_homogeneous_poisson
+mp_kvrh
+n_Seebeck
+n_avg_eff_mass
+n_e_cond
+n_th_cond
+oqmd_band_gap
+oqmd_delta_e
+oqmd_stability
+p_Seebeck
+p_avg_eff_mass
+p_e_cond
+p_th_cond
+qmof_bg
+qmof_e
+qmof_outputs_pbe_energy_total
+spec_EXAFS_Co_EdgeEnergy
+spec_EXAFS_Co_PeakEnergy
+spec_EXAFS_Co_PeakHeight
+spec_EXAFS_Co_WhiteLineHeight
+spec_EXAFS_Cu_EdgeEnergy
+spec_EXAFS_Cu_PeakEnergy
+spec_EXAFS_Cu_PeakHeight
+spec_EXAFS_Cu_WhiteLineHeight
+spec_EXAFS_Fe_EdgeEnergy
+spec_EXAFS_Fe_PeakEnergy
+spec_EXAFS_Fe_PeakHeight
+spec_EXAFS_Fe_WhiteLineHeight
+spec_EXAFS_Mn_EdgeEnergy
+spec_EXAFS_Mn_PeakEnergy
+spec_EXAFS_Mn_PeakHeight
+spec_EXAFS_Mn_WhiteLineHeight
+spec_EXAFS_Ni_EdgeEnergy
+spec_EXAFS_Ni_PeakEnergy
+spec_EXAFS_Ni_PeakHeight
+spec_EXAFS_Ni_WhiteLineHeight
+spec_EXAFS_Zn_EdgeEnergy
+spec_EXAFS_Zn_PeakEnergy
+spec_EXAFS_Zn_PeakHeight
+spec_EXAFS_Zn_WhiteLineHeight
+spec_XANES_Co_EdgeEnergy
+spec_XANES_Co_PeakEnergy
+spec_XANES_Co_PeakHeight
+spec_XANES_Co_WhiteLineHeight
+spec_XANES_Cu_EdgeEnergy
+spec_XANES_Cu_PeakEnergy
+spec_XANES_Cu_PeakHeight
+spec_XANES_Cu_WhiteLineHeight
+spec_XANES_Fe_EdgeEnergy
+spec_XANES_Fe_PeakEnergy
+spec_XANES_Fe_PeakHeight
+spec_XANES_Fe_WhiteLineHeight
+spec_XANES_Mn_EdgeEnergy
+spec_XANES_Mn_PeakEnergy
+spec_XANES_Mn_PeakHeight
+spec_XANES_Mn_WhiteLineHeight
+spec_XANES_Zn_EdgeEnergy
+spec_XANES_Zn_PeakEnergy
+spec_XANES_Zn_PeakHeight
+spec_XANES_Zn_WhiteLineHeight
+surface_energy

module-names.csv

@@ -1,108 +1,19 @@
 module_names
-Dipole_M
-Dispersion_E
-Ea_log_wo_cell
-Electronic_E
-HL_Gap
-HOMO_Energy
-LUMO_Energy
-Metal_q
-Polarizability
-adsorption_energy
-castelli_eform
-cepdb_jsc
-cepdb_pce
-cepdb_voc
-dH_log_wo_cell
-dos_fermi_level
-dos_homo
-dos_lumo
-dos_peak_after_lumo
-dos_peak_before_homo
-gibbs_free_energy
-hoip_diele_const_electronic
-hoip_diele_const_ionic
-hoip_diele_const_total
-hoip_refractive_idx
-jarvis_bandgap
-jarvis_dfpt_piezo_max_dij
-jarvis_dfpt_piezo_max_eij
-jarvis_dielectric_opt
-jarvis_eform
-jarvis_gvrh
-jarvis_kvrh
-jarvis_ncond
-jarvis_nkappa
-jarvis_pcond
-jarvis_pkappa
-jarvis_total_energy
-mof_ch4pre35_adsorption
-mof_co2pre2.5_adsorption
-mof_h2pre2_adsorption
-mof_n2pre0.9_adsorption
-mp_bandgap
-mp_efermi
 mp_eform
-mp_energy_above_hull
-mp_gvrh
-mp_homogeneous_poisson
-mp_kvrh
+mp_bandgap
 n_Seebeck
 n_avg_eff_mass
-n_e_cond
 n_th_cond
-oqmd_band_gap
-oqmd_delta_e
-oqmd_stability
 p_Seebeck
 p_avg_eff_mass
 p_e_cond
+n_e_cond
 p_th_cond
-qmof_bg
-qmof_e
-qmof_outputs_pbe_energy_total
-spec_EXAFS_Co_EdgeEnergy
-spec_EXAFS_Co_PeakEnergy
-spec_EXAFS_Co_PeakHeight
-spec_EXAFS_Co_WhiteLineHeight
-spec_EXAFS_Cu_EdgeEnergy
-spec_EXAFS_Cu_PeakEnergy
-spec_EXAFS_Cu_PeakHeight
-spec_EXAFS_Cu_WhiteLineHeight
-spec_EXAFS_Fe_EdgeEnergy
-spec_EXAFS_Fe_PeakEnergy
-spec_EXAFS_Fe_PeakHeight
-spec_EXAFS_Fe_WhiteLineHeight
-spec_EXAFS_Mn_EdgeEnergy
-spec_EXAFS_Mn_PeakEnergy
-spec_EXAFS_Mn_PeakHeight
-spec_EXAFS_Mn_WhiteLineHeight
-spec_EXAFS_Ni_EdgeEnergy
-spec_EXAFS_Ni_PeakEnergy
-spec_EXAFS_Ni_PeakHeight
-spec_EXAFS_Ni_WhiteLineHeight
-spec_EXAFS_Zn_EdgeEnergy
-spec_EXAFS_Zn_PeakEnergy
-spec_EXAFS_Zn_PeakHeight
-spec_EXAFS_Zn_WhiteLineHeight
-spec_XANES_Co_EdgeEnergy
-spec_XANES_Co_PeakEnergy
-spec_XANES_Co_PeakHeight
-spec_XANES_Co_WhiteLineHeight
-spec_XANES_Cu_EdgeEnergy
-spec_XANES_Cu_PeakEnergy
-spec_XANES_Cu_PeakHeight
-spec_XANES_Cu_WhiteLineHeight
-spec_XANES_Fe_EdgeEnergy
-spec_XANES_Fe_PeakEnergy
-spec_XANES_Fe_PeakHeight
-spec_XANES_Fe_WhiteLineHeight
-spec_XANES_Mn_EdgeEnergy
-spec_XANES_Mn_PeakEnergy
-spec_XANES_Mn_PeakHeight
-spec_XANES_Mn_WhiteLineHeight
-spec_XANES_Zn_EdgeEnergy
-spec_XANES_Zn_PeakEnergy
-spec_XANES_Zn_PeakHeight
-spec_XANES_Zn_WhiteLineHeight
-surface_energy
+mp_gvrh
+castelli_eform
+jarvis_gvrh
+jarvis_bandgap
+jarvis_eform
+jarvis_kvrh
+mp_kvrh
+jarvis_dielectric_opt