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c5c8defaef
seniority/H8_cc-pvdz
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kossoski c5c8defaef update
2022-02-03 10:34:08 +01:00
..
compute_NPE.pl
add scripts
2022-01-28 22:56:12 +01:00
cp_to_manuscript.sh
add scripts
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fit_eq.gnu
add scripts
2022-01-28 22:56:12 +01:00
fit_eq.sh
update
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force.gnu
update
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force.sh
update
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freq.gnu
update
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freq.sh
update
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pes_CIo1.5.dat
update PECs
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pes_CIo1.dat
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pes_CIo2.5.dat
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pes_CIo2.dat
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pes_CIo3.5.dat
update
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pes_CIo3.dat
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pes_CIo4.dat
update
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pes_CISD.dat
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pes_CISDT.dat
update
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pes_CISDTQ_1.dat
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pes_CISDTQ_2.dat
update
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pes_CISDTQ_3.dat
update
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pes_CISDTQ.dat
update
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pes_fci.dat
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pes_ooCIo1.dat
update
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pes_orbital_energy_1.dat
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pes_orbital_energy_2.dat
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pes_orbital_energy_3.dat
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pes_orbital_energy_4.dat
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pes_orbital_energy_5.dat
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pes_orbital_energy_6.dat
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pes_orbital_energy_7.dat
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pes_orbital_energy_8.dat
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pes_orbital_energy_9.dat
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pes_orbital_energy_10.dat
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pes_orbital_energy_11.dat
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pes_orbital_energy_12.dat
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pes_orbital_energy_13.dat
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pes_orbital_energy_14.dat
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pes_orbital_energy_15.dat
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pes_orbital_energy_16.dat
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pes_orbital_energy_17.dat
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pes_orbital_energy_18.dat
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pes_orbital_energy_19.dat
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pes_orbital_energy_20.dat
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pes_orbital_energy_21.dat
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pes_orbital_energy_22.dat
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pes_orbital_energy_23.dat
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pes_orbital_energy_24.dat
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pes_orbital_energy_25.dat
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pes_orbital_energy_26.dat
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pes_orbital_energy_27.dat
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pes_orbital_energy_28.dat
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pes_rhf.dat
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pes_s0.dat
update
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pes_s2.dat
update
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pes_s4.dat
update
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plot_error.gnu
update
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plot_error.sh
add scripts
2022-01-28 22:56:12 +01:00
plot_pes.gnu
update
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plot_pes.sh
add scripts
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plot_stat.gnu
add scripts
2022-01-28 22:56:12 +01:00
plot_stat.sh
add scripts
2022-01-28 22:56:12 +01:00
xe.gnu
add scripts
2022-01-28 22:56:12 +01:00
xe.sh
add scripts
2022-01-28 22:56:12 +01:00