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Fix qp_set_frozen_core

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This commit is contained in:
Anthony Scemama 2024-03-26 16:15:20 +01:00
parent e0af6d8425
commit f07db955f8
1 changed files with 1 additions and 0 deletions
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bin/qp_set_frozen_core
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@ -83,6 +83,7 @@ def main(arguments):
elif charge <= 118: n_frozen += 43 elif charge <= 118: n_frozen += 43
elif arguments["--small"]: elif arguments["--small"]:
for charge in ezfio.nuclei_nucl_charge:
if charge <= 4: pass if charge <= 4: pass
elif charge <= 18: n_frozen += 1 elif charge <= 18: n_frozen += 1
elif charge <= 36: n_frozen += 5 elif charge <= 36: n_frozen += 5