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Be
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test the change directory
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2020-11-20 09:12:10 +01:00 |
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be_adc2_x.inp
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input and output
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2020-11-04 09:55:11 +01:00 |
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be_adc2_x.out
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input and output
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2020-11-04 09:55:11 +01:00 |
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be_adc2.inp
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input and output
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2020-11-04 09:55:11 +01:00 |
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be_adc2.out
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input and output
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2020-11-04 09:55:11 +01:00 |
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be_adc3.inp
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input and output
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2020-11-04 09:55:11 +01:00 |
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be_adc3.out
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input and output
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2020-11-04 09:55:11 +01:00 |
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be_b3lyp.inp
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input and output of SF-TDDFT
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2020-11-04 10:05:19 +01:00 |
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be_bhhlyp.inp
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input and output of SF-TDDFT
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2020-11-04 10:05:19 +01:00 |
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be_blyp.inp
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input and output of SF-TDDFT
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2020-11-04 10:05:19 +01:00 |
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BSE@evGW_methods
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output and input of the BSE calculations
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2020-11-03 17:04:17 +01:00 |
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BSE@evGW_options
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output and input of the BSE calculations
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2020-11-03 17:04:17 +01:00 |
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BSE@evGW_output
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output and input of the BSE calculations
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2020-11-03 17:04:17 +01:00 |
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BSE@G0W0_options
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output and input of the BSE calculations
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2020-11-03 17:04:17 +01:00 |
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BSE@G0W0_output
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output and input of the BSE calculations
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2020-11-03 17:04:17 +01:00 |
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dBSE@evGW_methods
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output and input of the BSE calculations
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2020-11-03 17:04:17 +01:00 |
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dBSE@evGW_options
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output and input of the BSE calculations
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2020-11-03 17:04:17 +01:00 |
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dBSE@evGW_output
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output and input of the BSE calculations
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2020-11-03 17:04:17 +01:00 |
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dBSE@G0W0_methods
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Add output
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2020-11-03 09:34:26 +01:00 |
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dBSE@G0W0_options
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Add output
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2020-11-03 09:34:26 +01:00 |
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dBSE@G0W0_output
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Add output
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2020-11-03 09:34:26 +01:00 |
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eighth.txt
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ouput of EOM-CCSD
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2020-11-20 08:58:00 +01:00 |
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fifth.txt
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ouput of EOM-CCSD
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2020-11-20 08:58:00 +01:00 |
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first.txt
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ouput of EOM-CCSD
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2020-11-20 08:58:00 +01:00 |
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fourth.txt
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ouput of EOM-CCSD
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2020-11-20 08:58:00 +01:00 |
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gaussian_energy_eom_ccsd_first.txt
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EOM results on H2
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2020-11-12 08:18:49 +01:00 |
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gaussian_energy_eom_ccsd_second.txt
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EOM results on H2
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2020-11-12 08:18:49 +01:00 |
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h2_qchem_energy_sf_cis_double_exc.txt
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results of SF-CIS on H2
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2020-11-05 11:39:13 +01:00 |
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h2_qchem_energy_sf_cis.txt
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results of SF-CIS on H2
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2020-11-05 11:39:13 +01:00 |
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h2_qchem_energy_triplet_cis.txt
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add H2 triplet state energy with SF-CIS
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2020-11-19 16:57:28 +01:00 |
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H2_SF-CIS.nb
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ouput of EOM-CCSD
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2020-11-20 08:58:00 +01:00 |
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ninth.txt
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ouput of EOM-CCSD
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2020-11-20 08:58:00 +01:00 |
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second.txt
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ouput of EOM-CCSD
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2020-11-20 08:58:00 +01:00 |
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seventh.txt
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ouput of EOM-CCSD
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2020-11-20 08:58:00 +01:00 |
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sixth.txt
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ouput of EOM-CCSD
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2020-11-20 08:58:00 +01:00 |
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tenth.txt
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ouput of EOM-CCSD
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2020-11-20 08:58:00 +01:00 |
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third.txt
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ouput of EOM-CCSD
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2020-11-20 08:58:00 +01:00 |
