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feat: gw requiredKeys added
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seankwarren committed Oct 13, 2023
1 parent 684cff8 commit c6af22c
Showing 1 changed file with 37 additions and 0 deletions.
37 changes: 37 additions & 0 deletions executables/espresso/gw.x.yml
Original file line number Diff line number Diff line change
Expand Up @@ -24,6 +24,30 @@ flavors:
staticContext:
gw_bands_plasmon_pole:
!include 'executables/espresso/staticContent/gw.x.yml#/gw_bands_plasmon_pole'
requiredKeys:
- gw_input.prefix
- gw_input.outdir
- gw_input.kpt_grid
- gw_input.qpt_grid
- gw_input.truncation
- gw_input.num_band
- gw_input.thres_coul
- gw_input.model_coul
- gw_input.max_freq_coul
- gw_input.num_freq_coul
- gw_input.thres_green
- gw_input.max_iter_green
- gw_input.ecut_corr
- gw_input.max_freq_corr
- gw_input.num_freq_corr
- gw_input.ecut_exch
- gw_input.eta
- gw_input.min_freq_wind
- gw_input.max_freq_wind
- gw_input.num_freq_wind
- frequencies
- k_points.card_option
- k_points.card_type

gw_bands_full_frequency:
input:
Expand All @@ -44,3 +68,16 @@ flavors:
staticContext:
gw_bands_full_frequency:
!include 'executables/espresso/staticContent/gw.x.yml#/gw_bands_full_frequency'
requiredKeys:
- gw_input.prefix
- gw_input.outdir
- gw_input.kpt_grid
- gw_input.qpt_grid
- gw_input.num_band
- gw_input.max_freq_coul
- gw_input.num_freq_coul
- gw_input.ecut_corr
- gw_input.ecut_exch
- frequencies
- k_points.card_option
- k_points.values

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