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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-10-30 10:18:07 +01:00

Fix normf=1 problem with gamess conversion

This commit is contained in:
Anthony Scemama 2022-06-29 15:25:19 +02:00
parent 0407def678
commit f629fc993e

View File

@ -146,6 +146,7 @@ def write_ezfio(res, filename):
ezfio.set_ao_basis_ao_nucl(at)
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_normalized(False)
# ~#~#~#~#~#~#~ #
# P a r s i n g #