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Fix normf=1 problem with gamess conversion

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This commit is contained in:
Anthony Scemama 2022-06-29 15:25:19 +02:00
parent 0407def678
commit f629fc993e
1 changed files with 1 additions and 0 deletions
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bin/qp_convert_output_to_ezfio
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@ -146,6 +146,7 @@ def write_ezfio(res, filename):
ezfio.set_ao_basis_ao_nucl(at) ezfio.set_ao_basis_ao_nucl(at)
ezfio.set_ao_basis_ao_prim_num(num_prim) ezfio.set_ao_basis_ao_prim_num(num_prim)
ezfio.set_ao_basis_ao_power(power_x + power_y + power_z) ezfio.set_ao_basis_ao_power(power_x + power_y + power_z)
ezfio.set_ao_basis_ao_normalized(False)
# ~#~#~#~#~#~#~ # # ~#~#~#~#~#~#~ #
# P a r s i n g # # P a r s i n g #