kossoski 26010c69e0 several minor corrections

2022-03-09 20:20:46 +01:00

..

compute_NPE.pl

update

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cp_to_manuscript.sh

add scripts

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fit_eq.gnu

update

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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 PES

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pes_CIo1.dat

update PES

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pes_CIo2.5.dat

update PES

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pes_CIo2.dat

update PES

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pes_CIo3.5.dat

update PES

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pes_CIo3.dat

update PES

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pes_CIo4.dat

update PES

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pes_CISD.dat

update PECs

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pes_CISDT.dat

update PECs

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pes_CISDTQ.dat

update PECs

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pes_fci.dat

update PES

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pes_ooCIs0.dat

update

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pes_pccd.dat

update PES

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pes_rhf.dat

update PES

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pes_s0.dat

update

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pes_s0.e2.dat

update PES

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pes_s0.e3.dat

update PES

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pes_s0.e4.dat

update PES

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pes_s0.e6.dat

first data

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pes_s0.e8.dat

first data

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pes_s2.dat

update

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pes_s2.e2.dat

update PES

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pes_s2.e3.dat

update PES

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pes_s2.e4.dat

update PES

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pes_s2.e5.dat

first data

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pes_s2.e6.dat

first data

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pes_s2.e7.dat

first data

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pes_s2.e8.dat

first data

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pes_s4.dat

update

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pes_s4.e3.dat

update PES

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pes_s4.e4.dat

update PES

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pes_s4.e5.dat

first data

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pes_s4.e6.dat

first data

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pes_s4.e7.dat

first data

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pes_s4.e8.dat

first data

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pes_s6.e4.dat

update PES

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pes_s6.e5.dat

first data

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pes_s6.e6.dat

first data

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pes_s6.e7.dat

first data

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pes_s8.e6.dat

first data

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pes_s8.e7.dat

first data

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plot_closeness.gnu

update

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plot_closeness.sh

update

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plot_error_1.gnu

add scripts

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plot_error.gnu

update

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plot_error.sh

add scripts

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plot_frac.gnu

update PES

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plot_pes_1.gnu

add scripts

2022-01-28 22:56:12 +01:00

plot_pes.gnu

update

2022-02-17 18:25:19 +01:00

plot_pes.sh

add scripts

2022-01-28 22:56:12 +01:00

plot_stat.gnu

several minor corrections

2022-03-09 20:20:46 +01:00

plot_stat.sh

update

2022-02-07 20:14:30 +01:00

run_stat.sh

update

2022-02-07 20:14:30 +01:00

xe.gnu

update

2022-02-07 20:14:30 +01:00

xe.sh

add scripts

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