From ec92f2d802a0983d1ee09ccf7b93656c532fb182 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= Date: Wed, 9 Sep 2020 14:39:46 +0200 Subject: [PATCH 1/3] Article without DOI support --- content/dataset.html | 68 +++++++++---------- content/publications.html | 6 +- .../abs/acetaldehyde_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../abs/acetaldehyde_ADC(3)_aug-cc-pVTZ.dat | 2 +- .../data/abs/acetaldehyde_CC2_aug-cc-pVTZ.dat | 2 +- .../acetaldehyde_CC3(Full)_aug-cc-pVQZ.dat | 2 +- .../data/abs/acetaldehyde_CC3_6-31+G(d).dat | 2 +- .../data/abs/acetaldehyde_CC3_aug-cc-pVDZ.dat | 2 +- .../data/abs/acetaldehyde_CC3_aug-cc-pVQZ.dat | 2 +- .../data/abs/acetaldehyde_CC3_aug-cc-pVTZ.dat | 2 +- .../abs/acetaldehyde_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../abs/acetaldehyde_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../data/abs/acetaldehyde_CCSDT_6-31+G(d).dat | 2 +- .../abs/acetaldehyde_CCSDT_aug-cc-pVDZ.dat | 2 +- .../abs/acetaldehyde_CCSDT_aug-cc-pVTZ.dat | 2 +- .../abs/acetaldehyde_CCSD_aug-cc-pVTZ.dat | 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.../abs/butadiene_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/butadiene_TBE(Full)_CBS.dat | 2 +- static/data/abs/butadiene_TBE_CBS_double.dat | 2 +- static/data/abs/butadiene_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/butadiene_exp.dat | 2 +- .../carbon_dimer_CASPT2_6-31+G(d)_double.dat | 2 +- ...carbon_dimer_CASPT2_aug-cc-pVDZ_double.dat | 2 +- ...carbon_dimer_CASPT2_aug-cc-pVQZ_double.dat | 2 +- ...carbon_dimer_CASPT2_aug-cc-pVTZ_double.dat | 2 +- .../abs/carbon_dimer_CC3_6-31+G(d)_double.dat | 2 +- .../carbon_dimer_CC3_aug-cc-pVDZ_double.dat | 2 +- .../carbon_dimer_CC3_aug-cc-pVQZ_double.dat | 2 +- .../carbon_dimer_CC3_aug-cc-pVTZ_double.dat | 2 +- .../carbon_dimer_CCSDTQP_6-31+G(d)_double.dat | 2 +- ...arbon_dimer_CCSDTQP_aug-cc-pVDZ_double.dat | 2 +- .../carbon_dimer_CCSDTQ_6-31+G(d)_double.dat | 2 +- ...carbon_dimer_CCSDTQ_aug-cc-pVDZ_double.dat | 2 +- ...carbon_dimer_CCSDTQ_aug-cc-pVTZ_double.dat | 2 +- .../carbon_dimer_CCSDT_6-31+G(d)_double.dat | 2 +- .../carbon_dimer_CCSDT_aug-cc-pVDZ_double.dat | 2 +- .../carbon_dimer_CCSDT_aug-cc-pVQZ_double.dat | 2 +- .../carbon_dimer_CCSDT_aug-cc-pVTZ_double.dat | 2 +- .../abs/carbon_dimer_FCI_6-31+G(d)_double.dat | 2 +- .../carbon_dimer_FCI_aug-cc-pVDZ_double.dat | 2 +- .../carbon_dimer_FCI_aug-cc-pVQZ_double.dat | 2 +- .../carbon_dimer_FCI_aug-cc-pVTZ_double.dat | 2 +- ...arbon_dimer_PC-NEVPT2_6-31+G(d)_double.dat | 2 +- ...bon_dimer_PC-NEVPT2_aug-cc-pVDZ_double.dat | 2 +- ...bon_dimer_PC-NEVPT2_aug-cc-pVQZ_double.dat | 2 +- ...bon_dimer_PC-NEVPT2_aug-cc-pVTZ_double.dat | 2 +- ...arbon_dimer_SC-NEVPT2_6-31+G(d)_double.dat | 2 +- ...bon_dimer_SC-NEVPT2_aug-cc-pVDZ_double.dat | 2 +- ...bon_dimer_SC-NEVPT2_aug-cc-pVQZ_double.dat | 2 +- ...bon_dimer_SC-NEVPT2_aug-cc-pVTZ_double.dat | 2 +- .../data/abs/carbon_dimer_TBE_CBS_double.dat | 2 +- .../carbon_monoxide_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../carbon_monoxide_ADC(3)_aug-cc-pVTZ.dat | 2 +- .../abs/carbon_monoxide_CC2_aug-cc-pVTZ.dat | 2 +- .../carbon_monoxide_CC3(Full)_aug-cc-pV5Z.dat | 2 +- .../carbon_monoxide_CC3(Full)_aug-cc-pVQZ.dat | 2 +- ...arbon_monoxide_CC3(Full)_d-aug-cc-pV5Z.dat | 2 +- ...arbon_monoxide_CC3(Full)_d-aug-cc-pVQZ.dat | 2 +- ...arbon_monoxide_CC3(Full)_t-aug-cc-pVQZ.dat | 2 +- .../abs/carbon_monoxide_CC3_6-31+G(d).dat | 2 +- .../abs/carbon_monoxide_CC3_aug-cc-pVDZ.dat | 2 +- .../abs/carbon_monoxide_CC3_aug-cc-pVQZ.dat | 2 +- .../abs/carbon_monoxide_CC3_aug-cc-pVTZ.dat | 2 +- .../abs/carbon_monoxide_CC3_d-aug-cc-pVQZ.dat | 2 +- .../abs/carbon_monoxide_CC3_t-aug-cc-pVQZ.dat | 2 +- .../carbon_monoxide_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../carbon_monoxide_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../carbon_monoxide_CCSDTQP_aug-cc-pVDZ.dat | 2 +- .../abs/carbon_monoxide_CCSDTQ_6-31+G(d).dat | 2 +- .../carbon_monoxide_CCSDTQ_aug-cc-pVDZ.dat | 2 +- .../carbon_monoxide_CCSDTQ_aug-cc-pVTZ.dat | 2 +- .../abs/carbon_monoxide_CCSDT_6-31+G(d).dat | 2 +- .../abs/carbon_monoxide_CCSDT_aug-cc-pVDZ.dat | 2 +- .../abs/carbon_monoxide_CCSDT_aug-cc-pVQZ.dat | 2 +- .../abs/carbon_monoxide_CCSDT_aug-cc-pVTZ.dat | 2 +- .../abs/carbon_monoxide_CCSD_aug-cc-pVTZ.dat | 2 +- .../carbon_monoxide_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../carbon_monoxide_CIS(D∞)_aug-cc-pVTZ.dat | 2 +- .../abs/carbon_monoxide_FCI_aug-cc-pVDZ.dat | 2 +- .../abs/carbon_monoxide_FCI_aug-cc-pVQZ.dat | 2 +- .../abs/carbon_monoxide_FCI_aug-cc-pVTZ.dat | 2 +- ...carbon_monoxide_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/carbon_monoxide_TBE(Full)_CBS.dat | 2 +- .../abs/carbon_monoxide_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/carbon_monoxide_exp.dat | 2 +- .../carbon_trimer_CASPT2_6-31+G(d)_double.dat | 2 +- ...arbon_trimer_CASPT2_aug-cc-pVDZ_double.dat | 2 +- ...arbon_trimer_CASPT2_aug-cc-pVQZ_double.dat | 2 +- ...arbon_trimer_CASPT2_aug-cc-pVTZ_double.dat | 2 +- .../carbon_trimer_CC3_6-31+G(d)_double.dat | 2 +- .../carbon_trimer_CC3_aug-cc-pVDZ_double.dat | 2 +- .../carbon_trimer_CC3_aug-cc-pVQZ_double.dat | 2 +- .../carbon_trimer_CC3_aug-cc-pVTZ_double.dat | 2 +- .../carbon_trimer_CCSDTQ_6-31+G(d)_double.dat | 2 +- ...arbon_trimer_CCSDTQ_aug-cc-pVDZ_double.dat | 2 +- .../carbon_trimer_CCSDT_6-31+G(d)_double.dat | 2 +- ...carbon_trimer_CCSDT_aug-cc-pVDZ_double.dat | 2 +- ...carbon_trimer_CCSDT_aug-cc-pVQZ_double.dat | 2 +- ...carbon_trimer_CCSDT_aug-cc-pVTZ_double.dat | 2 +- .../carbon_trimer_FCI_6-31+G(d)_double.dat | 2 +- .../carbon_trimer_FCI_aug-cc-pVDZ_double.dat | 2 +- .../carbon_trimer_FCI_aug-cc-pVQZ_double.dat | 2 +- .../carbon_trimer_FCI_aug-cc-pVTZ_double.dat | 2 +- ...rbon_trimer_PC-NEVPT2_6-31+G(d)_double.dat | 2 +- ...on_trimer_PC-NEVPT2_aug-cc-pVDZ_double.dat | 2 +- ...on_trimer_PC-NEVPT2_aug-cc-pVQZ_double.dat | 2 +- ...on_trimer_PC-NEVPT2_aug-cc-pVTZ_double.dat | 2 +- ...rbon_trimer_SC-NEVPT2_6-31+G(d)_double.dat | 2 +- ...on_trimer_SC-NEVPT2_aug-cc-pVDZ_double.dat | 2 +- ...on_trimer_SC-NEVPT2_aug-cc-pVQZ_double.dat | 2 +- ...on_trimer_SC-NEVPT2_aug-cc-pVTZ_double.dat | 2 +- .../data/abs/carbon_trimer_TBE_CBS_double.dat | 2 +- .../carbonylfluoride_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../carbonylfluoride_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- .../carbonylfluoride_ADC(3)_aug-cc-pVTZ.dat | 2 +- .../abs/carbonylfluoride_CC2_aug-cc-pVTZ.dat | 2 +- ...arbonylfluoride_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- ...carbonylfluoride_CC3(Full)_aug-cc-pVQZ.dat | 2 +- .../abs/carbonylfluoride_CC3_6-31+G(d).dat | 2 +- .../abs/carbonylfluoride_CC3_aug-cc-pV5Z.dat | 2 +- .../abs/carbonylfluoride_CC3_aug-cc-pVDZ.dat | 2 +- .../abs/carbonylfluoride_CC3_aug-cc-pVQZ.dat | 2 +- .../abs/carbonylfluoride_CC3_aug-cc-pVTZ.dat | 2 +- .../carbonylfluoride_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../carbonylfluoride_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../abs/carbonylfluoride_CCSDT_6-31+G(d).dat | 2 +- .../carbonylfluoride_CCSDT_aug-cc-pVDZ.dat | 2 +- .../carbonylfluoride_CCSDT_aug-cc-pVTZ.dat | 2 +- .../abs/carbonylfluoride_CCSD_aug-cc-pVTZ.dat | 2 +- .../carbonylfluoride_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../carbonylfluoride_EOM-MP2_aug-cc-pVTZ.dat | 2 +- .../abs/carbonylfluoride_FCI_aug-cc-pVDZ.dat | 2 +- .../abs/carbonylfluoride_FCI_aug-cc-pVTZ.dat | 2 +- ...bonylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- ...ylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- ...ylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- ...bonylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- ...arbonylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/carbonylfluoride_TBE(Full)_CBS.dat | 2 +- .../abs/carbonylfluoride_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_CC2_aug-cc-pVTZ.dat | 2 +- .../data/abs/ccl2_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- .../data/abs/ccl2_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/ccl2_CC3(SC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/ccl2_CC3_6-31+G(d).dat | 2 +- static/data/abs/ccl2_CC3_aug-cc-pV5Z.dat | 2 +- static/data/abs/ccl2_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/ccl2_CC3_aug-cc-pVQZ.dat | 2 +- static/data/abs/ccl2_CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_CCSDTQ_6-31+G(d).dat | 2 +- static/data/abs/ccl2_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/ccl2_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/ccl2_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_EOM-MP2_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/ccl2_FCI_aug-cc-pVTZ.dat | 2 +- .../abs/ccl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- .../abs/ccl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- .../abs/ccl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- .../abs/ccl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- .../data/abs/ccl2_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_TBE(Full)_CBS.dat | 2 +- static/data/abs/ccl2_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_CC2_aug-cc-pVTZ.dat | 2 +- .../data/abs/cclf_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- .../data/abs/cclf_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/cclf_CC3(SC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/cclf_CC3_6-31+G(d).dat | 2 +- static/data/abs/cclf_CC3_aug-cc-pV5Z.dat | 2 +- static/data/abs/cclf_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/cclf_CC3_aug-cc-pVQZ.dat | 2 +- static/data/abs/cclf_CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_CCSDTQ_6-31+G(d).dat | 2 +- static/data/abs/cclf_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/cclf_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/cclf_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_EOM-MP2_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/cclf_FCI_aug-cc-pVTZ.dat | 2 +- .../abs/cclf_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- .../abs/cclf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- .../abs/cclf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- .../abs/cclf_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- .../data/abs/cclf_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_TBE(Full)_CBS.dat | 2 +- static/data/abs/cclf_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_CC2_aug-cc-pVTZ.dat | 2 +- .../data/abs/cf2_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- static/data/abs/cf2_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/cf2_CC3_6-31+G(d).dat | 2 +- static/data/abs/cf2_CC3_aug-cc-pV5Z.dat | 2 +- static/data/abs/cf2_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/cf2_CC3_aug-cc-pVQZ.dat | 2 +- static/data/abs/cf2_CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_CCSDTQ_6-31+G(d).dat | 2 +- static/data/abs/cf2_CCSDTQ_aug-cc-pVDZ.dat | 2 +- static/data/abs/cf2_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/cf2_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/cf2_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_EOM-MP2_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/cf2_FCI_aug-cc-pVTZ.dat | 2 +- .../data/abs/cf2_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- .../abs/cf2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- .../abs/cf2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- .../data/abs/cf2_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- .../data/abs/cf2_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_TBE(Full)_CBS.dat | 2 +- static/data/abs/cf2_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/ch3_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/ch3_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/ch3_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/ch3_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/ch3_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/ch_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/ch_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/ch_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/ch_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/ch_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/cn_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/cn_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/cn_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/cn_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/cn_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/cno_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/cno_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/cno_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/cno_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/cno_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/co+_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/co+_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/co+_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/co+_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/co+_U-CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/cyanoacetylene_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../abs/cyanoacetylene_CC2_aug-cc-pVTZ.dat | 2 +- .../cyanoacetylene_CC3(Full)_aug-cc-pVQZ.dat | 2 +- ...cyanoacetylene_CC3(Full)_d-aug-cc-pVQZ.dat | 2 +- .../data/abs/cyanoacetylene_CC3_6-31+G(d).dat | 2 +- .../abs/cyanoacetylene_CC3_aug-cc-pV5Z.dat | 2 +- .../abs/cyanoacetylene_CC3_aug-cc-pVDZ.dat | 2 +- .../abs/cyanoacetylene_CC3_aug-cc-pVQZ.dat | 2 +- .../abs/cyanoacetylene_CC3_aug-cc-pVTZ.dat | 2 +- .../abs/cyanoacetylene_CC3_d-aug-cc-pVQZ.dat | 2 +- .../cyanoacetylene_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../cyanoacetylene_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../abs/cyanoacetylene_CCSDTQ_6-31+G(d).dat | 2 +- .../abs/cyanoacetylene_CCSDTQ_aug-cc-pVDZ.dat | 2 +- .../abs/cyanoacetylene_CCSDT_6-31+G(d).dat | 2 +- .../abs/cyanoacetylene_CCSDT_aug-cc-pVDZ.dat | 2 +- .../abs/cyanoacetylene_CCSDT_aug-cc-pVTZ.dat | 2 +- .../abs/cyanoacetylene_CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/cyanoacetylene_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../data/abs/cyanoacetylene_FCI_6-31+G(d).dat | 2 +- .../abs/cyanoacetylene_FCI_aug-cc-pVDZ.dat | 2 +- .../abs/cyanoacetylene_NEVPT2_aug-cc-pVTZ.dat | 2 +- .../cyanoacetylene_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- .../data/abs/cyanoacetylene_TBE(Full)_CBS.dat | 2 +- .../abs/cyanoacetylene_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/cyanoacetylene_exp.dat | 2 +- .../cyanoformaldehyde_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../abs/cyanoformaldehyde_CC2_aug-cc-pVTZ.dat | 2 +- ...yanoformaldehyde_CC3(Full)_aug-cc-pVQZ.dat | 2 +- .../abs/cyanoformaldehyde_CC3_6-31+G(d).dat | 2 +- .../abs/cyanoformaldehyde_CC3_aug-cc-pVDZ.dat | 2 +- .../abs/cyanoformaldehyde_CC3_aug-cc-pVQZ.dat | 2 +- .../abs/cyanoformaldehyde_CC3_aug-cc-pVTZ.dat | 2 +- .../cyanoformaldehyde_CC3_d-aug-cc-pVQZ.dat | 2 +- ...cyanoformaldehyde_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../cyanoformaldehyde_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../abs/cyanoformaldehyde_CCSDT_6-31+G(d).dat | 2 +- .../cyanoformaldehyde_CCSDT_aug-cc-pVDZ.dat | 2 +- .../cyanoformaldehyde_CCSDT_aug-cc-pVTZ.dat | 2 +- .../cyanoformaldehyde_CCSD_aug-cc-pVTZ.dat | 2 +- .../cyanoformaldehyde_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../abs/cyanoformaldehyde_FCI_6-31+G(d).dat | 2 +- .../cyanoformaldehyde_NEVPT2_aug-cc-pVTZ.dat | 2 +- ...anoformaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/cyanoformaldehyde_TBE(Full)_CBS.dat | 2 +- .../abs/cyanoformaldehyde_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/cyanoformaldehyde_exp.dat | 2 +- .../data/abs/cyanogen_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cyanogen_CC2_aug-cc-pVTZ.dat | 2 +- .../abs/cyanogen_CC3(Full)_aug-cc-pVQZ.dat | 2 +- .../abs/cyanogen_CC3(Full)_d-aug-cc-pVQZ.dat | 2 +- static/data/abs/cyanogen_CC3_6-31+G(d).dat | 2 +- static/data/abs/cyanogen_CC3_aug-cc-pV5Z.dat | 2 +- static/data/abs/cyanogen_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/cyanogen_CC3_aug-cc-pVQZ.dat | 2 +- static/data/abs/cyanogen_CC3_aug-cc-pVTZ.dat | 2 +- .../data/abs/cyanogen_CC3_d-aug-cc-pVQZ.dat | 2 +- .../abs/cyanogen_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../data/abs/cyanogen_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/cyanogen_CCSDTQ_6-31+G(d).dat | 2 +- .../data/abs/cyanogen_CCSDTQ_aug-cc-pVDZ.dat | 2 +- static/data/abs/cyanogen_CCSDT_6-31+G(d).dat | 2 +- .../data/abs/cyanogen_CCSDT_aug-cc-pVDZ.dat | 2 +- .../data/abs/cyanogen_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/cyanogen_CCSD_aug-cc-pVTZ.dat | 2 +- .../data/abs/cyanogen_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cyanogen_FCI_6-31+G(d).dat | 2 +- static/data/abs/cyanogen_FCI_aug-cc-pVDZ.dat | 2 +- .../abs/cyanogen_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/cyanogen_TBE(Full)_CBS.dat | 2 +- static/data/abs/cyanogen_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/cyanogen_exp.dat | 2 +- .../cyclopentadiene_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../abs/cyclopentadiene_CC2_aug-cc-pVTZ.dat | 2 +- .../abs/cyclopentadiene_CC3_6-31+G(d).dat | 2 +- .../abs/cyclopentadiene_CC3_aug-cc-pVDZ.dat | 2 +- .../abs/cyclopentadiene_CC3_aug-cc-pVQZ.dat | 2 +- .../abs/cyclopentadiene_CC3_aug-cc-pVTZ.dat | 2 +- .../cyclopentadiene_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../cyclopentadiene_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../abs/cyclopentadiene_CCSDT_6-31+G(d).dat | 2 +- .../abs/cyclopentadiene_CCSDT_aug-cc-pVDZ.dat | 2 +- .../abs/cyclopentadiene_CCSDT_aug-cc-pVTZ.dat | 2 +- .../abs/cyclopentadiene_CCSD_aug-cc-pVTZ.dat | 2 +- .../cyclopentadiene_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../cyclopentadiene_NEVPT2_aug-cc-pVTZ.dat | 2 +- ...cyclopentadiene_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/cyclopentadiene_TBE(Full)_CBS.dat | 2 +- .../abs/cyclopentadiene_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/cyclopentadiene_exp.dat | 2 +- .../abs/cyclopropene_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../abs/cyclopropene_ADC(3)_aug-cc-pVTZ.dat | 2 +- .../data/abs/cyclopropene_CC2_aug-cc-pVTZ.dat | 2 +- .../cyclopropene_CC3(Full)_aug-cc-pVQZ.dat | 2 +- .../data/abs/cyclopropene_CC3_6-31+G(d).dat | 2 +- .../data/abs/cyclopropene_CC3_aug-cc-pVDZ.dat | 2 +- .../data/abs/cyclopropene_CC3_aug-cc-pVQZ.dat | 2 +- .../data/abs/cyclopropene_CC3_aug-cc-pVTZ.dat | 2 +- .../abs/cyclopropene_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../abs/cyclopropene_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../data/abs/cyclopropene_CCSDT_6-31+G(d).dat | 2 +- .../abs/cyclopropene_CCSDT_aug-cc-pVDZ.dat | 2 +- .../abs/cyclopropene_CCSDT_aug-cc-pVTZ.dat | 2 +- .../abs/cyclopropene_CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/cyclopropene_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../abs/cyclopropene_CIS(D∞)_aug-cc-pVTZ.dat | 2 +- .../data/abs/cyclopropene_FCI_aug-cc-pVDZ.dat | 2 +- .../data/abs/cyclopropene_FCI_aug-cc-pVTZ.dat | 2 +- .../cyclopropene_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- .../data/abs/cyclopropene_TBE(Full)_CBS.dat | 2 +- .../data/abs/cyclopropene_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/cyclopropene_exp.dat | 2 +- .../cyclopropenethione_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../cyclopropenethione_CC2_aug-cc-pVTZ.dat | 2 +- ...clopropenethione_CC3(Full)_aug-cc-pVQZ.dat | 2 +- .../abs/cyclopropenethione_CC3_6-31+G(d).dat | 2 +- .../cyclopropenethione_CC3_aug-cc-pV5Z.dat | 2 +- .../cyclopropenethione_CC3_aug-cc-pVDZ.dat | 2 +- .../cyclopropenethione_CC3_aug-cc-pVQZ.dat | 2 +- .../cyclopropenethione_CC3_aug-cc-pVTZ.dat | 2 +- .../cyclopropenethione_CC3_d-aug-cc-pVQZ.dat | 2 +- ...yclopropenethione_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- ...cyclopropenethione_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../cyclopropenethione_CCSDTQ_6-31+G(d).dat | 2 +- .../cyclopropenethione_CCSDT_6-31+G(d).dat | 2 +- .../cyclopropenethione_CCSDT_aug-cc-pVDZ.dat | 2 +- .../cyclopropenethione_CCSDT_aug-cc-pVTZ.dat | 2 +- .../cyclopropenethione_CCSD_aug-cc-pVTZ.dat | 2 +- .../cyclopropenethione_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../abs/cyclopropenethione_FCI_6-31+G(d).dat | 2 +- .../cyclopropenethione_NEVPT2_aug-cc-pVTZ.dat | 2 +- ...lopropenethione_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/cyclopropenethione_TBE(Full)_CBS.dat | 2 +- .../cyclopropenethione_TBE_aug-cc-pVTZ.dat | 2 +- .../abs/cyclopropenone_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../abs/cyclopropenone_CC2_aug-cc-pVTZ.dat | 2 +- .../cyclopropenone_CC3(Full)_aug-cc-pVQZ.dat | 2 +- .../data/abs/cyclopropenone_CC3_6-31+G(d).dat | 2 +- .../abs/cyclopropenone_CC3_aug-cc-pV5Z.dat | 2 +- .../abs/cyclopropenone_CC3_aug-cc-pVDZ.dat | 2 +- .../abs/cyclopropenone_CC3_aug-cc-pVQZ.dat | 2 +- .../abs/cyclopropenone_CC3_aug-cc-pVTZ.dat | 2 +- .../abs/cyclopropenone_CC3_d-aug-cc-pVQZ.dat | 2 +- .../cyclopropenone_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../cyclopropenone_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../abs/cyclopropenone_CCSDTQ_6-31+G(d).dat | 2 +- .../abs/cyclopropenone_CCSDT_6-31+G(d).dat | 2 +- .../abs/cyclopropenone_CCSDT_aug-cc-pVDZ.dat | 2 +- .../abs/cyclopropenone_CCSDT_aug-cc-pVTZ.dat | 2 +- .../abs/cyclopropenone_CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/cyclopropenone_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../data/abs/cyclopropenone_FCI_6-31+G(d).dat | 2 +- .../abs/cyclopropenone_NEVPT2_aug-cc-pVTZ.dat | 2 +- .../cyclopropenone_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- .../data/abs/cyclopropenone_TBE(Full)_CBS.dat | 2 +- .../abs/cyclopropenone_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/cyclopropenone_exp.dat | 2 +- .../abs/diacetylene_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../data/abs/diacetylene_CC2_aug-cc-pVTZ.dat | 2 +- .../abs/diacetylene_CC3(Full)_aug-cc-pVQZ.dat | 2 +- .../diacetylene_CC3(Full)_d-aug-cc-pVQZ.dat | 2 +- static/data/abs/diacetylene_CC3_6-31+G(d).dat | 2 +- .../data/abs/diacetylene_CC3_aug-cc-pV5Z.dat | 2 +- .../data/abs/diacetylene_CC3_aug-cc-pVDZ.dat | 2 +- .../data/abs/diacetylene_CC3_aug-cc-pVQZ.dat | 2 +- .../data/abs/diacetylene_CC3_aug-cc-pVTZ.dat | 2 +- .../abs/diacetylene_CC3_d-aug-cc-pVQZ.dat | 2 +- .../abs/diacetylene_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../abs/diacetylene_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../data/abs/diacetylene_CCSDTQ_6-31+G(d).dat | 2 +- .../abs/diacetylene_CCSDTQ_aug-cc-pVDZ.dat | 2 +- .../data/abs/diacetylene_CCSDT_6-31+G(d).dat | 2 +- .../abs/diacetylene_CCSDT_aug-cc-pVDZ.dat | 2 +- .../abs/diacetylene_CCSDT_aug-cc-pVTZ.dat | 2 +- .../data/abs/diacetylene_CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/diacetylene_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/diacetylene_FCI_6-31+G(d).dat | 2 +- .../data/abs/diacetylene_FCI_aug-cc-pVDZ.dat | 2 +- .../abs/diacetylene_NEVPT2_aug-cc-pVTZ.dat | 2 +- .../diacetylene_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/diacetylene_TBE(Full)_CBS.dat | 2 +- .../data/abs/diacetylene_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/diacetylene_exp.dat | 2 +- .../abs/diazomethane_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../abs/diazomethane_ADC(3)_aug-cc-pVTZ.dat | 2 +- .../data/abs/diazomethane_CC2_aug-cc-pVTZ.dat | 2 +- .../diazomethane_CC3(Full)_aug-cc-pVQZ.dat | 2 +- .../diazomethane_CC3(Full)_d-aug-cc-pVQZ.dat | 2 +- .../data/abs/diazomethane_CC3_6-31+G(d).dat | 2 +- .../data/abs/diazomethane_CC3_aug-cc-pVDZ.dat | 2 +- .../data/abs/diazomethane_CC3_aug-cc-pVQZ.dat | 2 +- .../data/abs/diazomethane_CC3_aug-cc-pVTZ.dat | 2 +- .../abs/diazomethane_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../abs/diazomethane_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../data/abs/diazomethane_CCSDT_6-31+G(d).dat | 2 +- .../abs/diazomethane_CCSDT_aug-cc-pVDZ.dat | 2 +- .../abs/diazomethane_CCSDT_aug-cc-pVTZ.dat | 2 +- .../abs/diazomethane_CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/diazomethane_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../abs/diazomethane_CIS(D∞)_aug-cc-pVTZ.dat | 2 +- .../data/abs/diazomethane_FCI_aug-cc-pVDZ.dat | 2 +- .../data/abs/diazomethane_FCI_aug-cc-pVTZ.dat | 2 +- .../diazomethane_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- .../data/abs/diazomethane_TBE(Full)_CBS.dat | 2 +- .../data/abs/diazomethane_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/diazomethane_exp.dat | 2 +- .../difluorodiazirine_ADC(2)_aug-cc-pVTZ.dat | 2 +- ...difluorodiazirine_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- .../difluorodiazirine_ADC(3)_aug-cc-pVTZ.dat | 2 +- .../abs/difluorodiazirine_CC2_aug-cc-pVTZ.dat | 2 +- .../abs/difluorodiazirine_CC3_6-31+G(d).dat | 2 +- .../abs/difluorodiazirine_CC3_aug-cc-pVDZ.dat | 2 +- .../abs/difluorodiazirine_CC3_aug-cc-pVQZ.dat | 2 +- .../abs/difluorodiazirine_CC3_aug-cc-pVTZ.dat | 2 +- ...difluorodiazirine_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../difluorodiazirine_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../abs/difluorodiazirine_CCSDT_6-31+G(d).dat | 2 +- .../difluorodiazirine_CCSDT_aug-cc-pVDZ.dat | 2 +- .../difluorodiazirine_CCSDT_aug-cc-pVTZ.dat | 2 +- .../difluorodiazirine_CCSD_aug-cc-pVTZ.dat | 2 +- .../difluorodiazirine_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../difluorodiazirine_EOM-MP2_aug-cc-pVTZ.dat | 2 +- ...uorodiazirine_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- ...odiazirine_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- ...odiazirine_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- ...uorodiazirine_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- ...fluorodiazirine_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/difluorodiazirine_TBE(Full)_CBS.dat | 2 +- .../abs/difluorodiazirine_TBE_aug-cc-pVTZ.dat | 2 +- .../abs/dinitrogen_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../abs/dinitrogen_ADC(3)_aug-cc-pVTZ.dat | 2 +- .../data/abs/dinitrogen_CC2_aug-cc-pVTZ.dat | 2 +- .../abs/dinitrogen_CC3(Full)_aug-cc-pV5Z.dat | 2 +- .../abs/dinitrogen_CC3(Full)_aug-cc-pVQZ.dat | 2 +- .../dinitrogen_CC3(Full)_d-aug-cc-pV5Z.dat | 2 +- .../dinitrogen_CC3(Full)_d-aug-cc-pVQZ.dat | 2 +- .../dinitrogen_CC3(Full)_t-aug-cc-pVQZ.dat | 2 +- static/data/abs/dinitrogen_CC3_6-31+G(d).dat | 2 +- .../data/abs/dinitrogen_CC3_aug-cc-pVDZ.dat | 2 +- .../data/abs/dinitrogen_CC3_aug-cc-pVQZ.dat | 2 +- .../data/abs/dinitrogen_CC3_aug-cc-pVTZ.dat | 2 +- .../data/abs/dinitrogen_CC3_d-aug-cc-pVQZ.dat | 2 +- .../data/abs/dinitrogen_CC3_t-aug-cc-pVQZ.dat | 2 +- .../abs/dinitrogen_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../abs/dinitrogen_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../abs/dinitrogen_CCSDTQP_aug-cc-pVDZ.dat | 2 +- .../data/abs/dinitrogen_CCSDTQ_6-31+G(d).dat | 2 +- .../abs/dinitrogen_CCSDTQ_aug-cc-pVDZ.dat | 2 +- .../abs/dinitrogen_CCSDTQ_aug-cc-pVTZ.dat | 2 +- .../data/abs/dinitrogen_CCSDT_6-31+G(d).dat | 2 +- .../data/abs/dinitrogen_CCSDT_aug-cc-pVDZ.dat | 2 +- .../data/abs/dinitrogen_CCSDT_aug-cc-pVQZ.dat | 2 +- .../data/abs/dinitrogen_CCSDT_aug-cc-pVTZ.dat | 2 +- .../data/abs/dinitrogen_CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/dinitrogen_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../abs/dinitrogen_CIS(D∞)_aug-cc-pVTZ.dat | 2 +- .../data/abs/dinitrogen_FCI_aug-cc-pVDZ.dat | 2 +- .../data/abs/dinitrogen_FCI_aug-cc-pVQZ.dat | 2 +- .../data/abs/dinitrogen_FCI_aug-cc-pVTZ.dat | 2 +- .../abs/dinitrogen_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/dinitrogen_TBE(Full)_CBS.dat | 2 +- .../data/abs/dinitrogen_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/dinitrogen_exp.dat | 2 +- .../data/abs/ethylene_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../data/abs/ethylene_ADC(3)_aug-cc-pVTZ.dat | 2 +- .../abs/ethylene_CASPT2_6-31+G(d)_double.dat | 2 +- .../ethylene_CASPT2_aug-cc-pVDZ_double.dat | 2 +- .../ethylene_CASPT2_aug-cc-pVQZ_double.dat | 2 +- .../ethylene_CASPT2_aug-cc-pVTZ_double.dat | 2 +- static/data/abs/ethylene_CC2_aug-cc-pVTZ.dat | 2 +- .../abs/ethylene_CC3(Full)_aug-cc-pV5Z.dat | 2 +- .../abs/ethylene_CC3(Full)_aug-cc-pVQZ.dat | 2 +- .../abs/ethylene_CC3(Full)_d-aug-cc-pV5Z.dat | 2 +- .../abs/ethylene_CC3(Full)_d-aug-cc-pVQZ.dat | 2 +- static/data/abs/ethylene_CC3_6-31+G(d).dat | 2 +- .../abs/ethylene_CC3_6-31+G(d)_double.dat | 2 +- static/data/abs/ethylene_CC3_aug-cc-pVDZ.dat | 2 +- .../abs/ethylene_CC3_aug-cc-pVDZ_double.dat | 2 +- static/data/abs/ethylene_CC3_aug-cc-pVQZ.dat | 2 +- .../abs/ethylene_CC3_aug-cc-pVQZ_double.dat | 2 +- static/data/abs/ethylene_CC3_aug-cc-pVTZ.dat | 2 +- .../abs/ethylene_CC3_aug-cc-pVTZ_double.dat | 2 +- .../data/abs/ethylene_CC3_d-aug-cc-pVQZ.dat | 2 +- .../abs/ethylene_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../data/abs/ethylene_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../abs/ethylene_CCSDTQP_6-31+G(d)_double.dat | 2 +- static/data/abs/ethylene_CCSDTQ_6-31+G(d).dat | 2 +- .../abs/ethylene_CCSDTQ_6-31+G(d)_double.dat | 2 +- .../data/abs/ethylene_CCSDTQ_aug-cc-pVDZ.dat | 2 +- .../ethylene_CCSDTQ_aug-cc-pVDZ_double.dat | 2 +- .../data/abs/ethylene_CCSDTQ_aug-cc-pVTZ.dat | 2 +- static/data/abs/ethylene_CCSDT_6-31+G(d).dat | 2 +- .../abs/ethylene_CCSDT_6-31+G(d)_double.dat | 2 +- .../data/abs/ethylene_CCSDT_aug-cc-pVDZ.dat | 2 +- .../abs/ethylene_CCSDT_aug-cc-pVDZ_double.dat | 2 +- .../data/abs/ethylene_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/ethylene_CCSD_aug-cc-pVTZ.dat | 2 +- .../data/abs/ethylene_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../data/abs/ethylene_CIS(D∞)_aug-cc-pVTZ.dat | 2 +- .../abs/ethylene_FCI_6-31+G(d)_double.dat | 2 +- static/data/abs/ethylene_FCI_aug-cc-pVDZ.dat | 2 +- .../abs/ethylene_FCI_aug-cc-pVDZ_double.dat | 2 +- static/data/abs/ethylene_FCI_aug-cc-pVTZ.dat | 2 +- .../abs/ethylene_FCI_aug-cc-pVTZ_double.dat | 2 +- .../ethylene_MS-CASPT2_6-31+G(d)_double.dat | 2 +- .../ethylene_MS-CASPT2_aug-cc-pVDZ_double.dat | 2 +- .../ethylene_MS-CASPT2_aug-cc-pVQZ_double.dat | 2 +- .../ethylene_MS-CASPT2_aug-cc-pVTZ_double.dat | 2 +- .../ethylene_PC-NEVPT2_6-31+G(d)_double.dat | 2 +- .../ethylene_PC-NEVPT2_aug-cc-pVDZ_double.dat | 2 +- .../ethylene_PC-NEVPT2_aug-cc-pVQZ_double.dat | 2 +- .../ethylene_PC-NEVPT2_aug-cc-pVTZ_double.dat | 2 +- .../ethylene_SC-NEVPT2_6-31+G(d)_double.dat | 2 +- .../ethylene_SC-NEVPT2_aug-cc-pVDZ_double.dat | 2 +- .../ethylene_SC-NEVPT2_aug-cc-pVQZ_double.dat | 2 +- .../ethylene_SC-NEVPT2_aug-cc-pVTZ_double.dat | 2 +- .../abs/ethylene_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/ethylene_TBE(Full)_CBS.dat | 2 +- static/data/abs/ethylene_TBE_CBS_double.dat | 2 +- static/data/abs/ethylene_TBE_aug-cc-pVTZ.dat | 2 +- .../ethylene_XMS-CASPT2_6-31+G(d)_double.dat | 2 +- ...ethylene_XMS-CASPT2_aug-cc-pVDZ_double.dat | 2 +- ...ethylene_XMS-CASPT2_aug-cc-pVQZ_double.dat | 2 +- ...ethylene_XMS-CASPT2_aug-cc-pVTZ_double.dat | 2 +- static/data/abs/ethylene_exp.dat | 2 +- static/data/abs/f2bo_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/f2bo_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/f2bo_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/f2bo_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/f2bo_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/f2bs_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/f2bs_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/f2bs_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/f2bs_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/f2bs_U-CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/formaldehyde_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../abs/formaldehyde_ADC(3)_aug-cc-pVTZ.dat | 2 +- .../formaldehyde_CASPT2_6-31+G(d)_double.dat | 2 +- ...formaldehyde_CASPT2_aug-cc-pVDZ_double.dat | 2 +- ...formaldehyde_CASPT2_aug-cc-pVQZ_double.dat | 2 +- ...formaldehyde_CASPT2_aug-cc-pVTZ_double.dat | 2 +- .../data/abs/formaldehyde_CC2_aug-cc-pVTZ.dat | 2 +- .../formaldehyde_CC3(Full)_aug-cc-pV5Z.dat | 2 +- .../formaldehyde_CC3(Full)_aug-cc-pVQZ.dat | 2 +- .../formaldehyde_CC3(Full)_d-aug-cc-pV5Z.dat | 2 +- .../formaldehyde_CC3(Full)_d-aug-cc-pVQZ.dat | 2 +- .../data/abs/formaldehyde_CC3_6-31+G(d).dat | 2 +- .../abs/formaldehyde_CC3_6-31+G(d)_double.dat | 2 +- .../data/abs/formaldehyde_CC3_aug-cc-pVDZ.dat | 2 +- .../formaldehyde_CC3_aug-cc-pVDZ_double.dat | 2 +- .../data/abs/formaldehyde_CC3_aug-cc-pVQZ.dat | 2 +- .../formaldehyde_CC3_aug-cc-pVQZ_double.dat | 2 +- .../data/abs/formaldehyde_CC3_aug-cc-pVTZ.dat | 2 +- .../formaldehyde_CC3_aug-cc-pVTZ_double.dat | 2 +- .../abs/formaldehyde_CC3_d-aug-cc-pVQZ.dat | 2 +- .../abs/formaldehyde_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../abs/formaldehyde_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../formaldehyde_CCSDTQP_6-31+G(d)_double.dat | 2 +- .../abs/formaldehyde_CCSDTQ_6-31+G(d).dat | 2 +- .../formaldehyde_CCSDTQ_6-31+G(d)_double.dat | 2 +- .../abs/formaldehyde_CCSDTQ_aug-cc-pVDZ.dat | 2 +- ...formaldehyde_CCSDTQ_aug-cc-pVDZ_double.dat | 2 +- .../abs/formaldehyde_CCSDTQ_aug-cc-pVTZ.dat | 2 +- .../data/abs/formaldehyde_CCSDT_6-31+G(d).dat | 2 +- .../formaldehyde_CCSDT_6-31+G(d)_double.dat | 2 +- .../abs/formaldehyde_CCSDT_aug-cc-pVDZ.dat | 2 +- .../formaldehyde_CCSDT_aug-cc-pVDZ_double.dat | 2 +- .../formaldehyde_CCSDT_aug-cc-pVQZ_double.dat | 2 +- .../abs/formaldehyde_CCSDT_aug-cc-pVTZ.dat | 2 +- .../formaldehyde_CCSDT_aug-cc-pVTZ_double.dat | 2 +- .../abs/formaldehyde_CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/formaldehyde_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../abs/formaldehyde_CIS(D∞)_aug-cc-pVTZ.dat | 2 +- .../abs/formaldehyde_FCI_6-31+G(d)_double.dat | 2 +- .../data/abs/formaldehyde_FCI_aug-cc-pVDZ.dat | 2 +- .../formaldehyde_FCI_aug-cc-pVDZ_double.dat | 2 +- .../data/abs/formaldehyde_FCI_aug-cc-pVTZ.dat | 2 +- .../formaldehyde_FCI_aug-cc-pVTZ_double.dat | 2 +- ...ormaldehyde_MS-CASPT2_6-31+G(d)_double.dat | 2 +- ...maldehyde_MS-CASPT2_aug-cc-pVDZ_double.dat | 2 +- ...maldehyde_MS-CASPT2_aug-cc-pVQZ_double.dat | 2 +- ...maldehyde_MS-CASPT2_aug-cc-pVTZ_double.dat | 2 +- ...ormaldehyde_PC-NEVPT2_6-31+G(d)_double.dat | 2 +- ...maldehyde_PC-NEVPT2_aug-cc-pVDZ_double.dat | 2 +- ...maldehyde_PC-NEVPT2_aug-cc-pVQZ_double.dat | 2 +- ...maldehyde_PC-NEVPT2_aug-cc-pVTZ_double.dat | 2 +- ...ormaldehyde_SC-NEVPT2_6-31+G(d)_double.dat | 2 +- ...maldehyde_SC-NEVPT2_aug-cc-pVDZ_double.dat | 2 +- ...maldehyde_SC-NEVPT2_aug-cc-pVQZ_double.dat | 2 +- ...maldehyde_SC-NEVPT2_aug-cc-pVTZ_double.dat | 2 +- .../formaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- .../data/abs/formaldehyde_TBE(Full)_CBS.dat | 2 +- .../data/abs/formaldehyde_TBE_CBS_double.dat | 2 +- .../data/abs/formaldehyde_TBE_aug-cc-pVTZ.dat | 2 +- ...rmaldehyde_XMS-CASPT2_6-31+G(d)_double.dat | 2 +- ...aldehyde_XMS-CASPT2_aug-cc-pVDZ_double.dat | 2 +- ...aldehyde_XMS-CASPT2_aug-cc-pVQZ_double.dat | 2 +- ...aldehyde_XMS-CASPT2_aug-cc-pVTZ_double.dat | 2 +- static/data/abs/formaldehyde_exp.dat | 2 +- .../data/abs/formamide_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../data/abs/formamide_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/formamide_CC2_aug-cc-pVTZ.dat | 2 +- .../abs/formamide_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/formamide_CC3_6-31+G(d).dat | 2 +- static/data/abs/formamide_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/formamide_CC3_aug-cc-pVQZ.dat | 2 +- static/data/abs/formamide_CC3_aug-cc-pVTZ.dat | 2 +- .../abs/formamide_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../abs/formamide_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/formamide_CCSDT_6-31+G(d).dat | 2 +- .../data/abs/formamide_CCSDT_aug-cc-pVDZ.dat | 2 +- .../data/abs/formamide_CCSDT_aug-cc-pVTZ.dat | 2 +- .../data/abs/formamide_CCSD_aug-cc-pVTZ.dat | 2 +- .../data/abs/formamide_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../abs/formamide_CIS(D∞)_aug-cc-pVTZ.dat | 2 +- static/data/abs/formamide_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/formamide_FCI_aug-cc-pVTZ.dat | 2 +- .../abs/formamide_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/formamide_TBE(Full)_CBS.dat | 2 +- static/data/abs/formamide_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/formamide_exp.dat | 2 +- .../abs/formylfluoride_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../formylfluoride_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- .../abs/formylfluoride_ADC(3)_aug-cc-pVTZ.dat | 2 +- .../abs/formylfluoride_CC2_aug-cc-pVTZ.dat | 2 +- .../formylfluoride_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- .../formylfluoride_CC3(Full)_aug-cc-pVQZ.dat | 2 +- .../data/abs/formylfluoride_CC3_6-31+G(d).dat | 2 +- .../abs/formylfluoride_CC3_aug-cc-pV5Z.dat | 2 +- .../abs/formylfluoride_CC3_aug-cc-pVDZ.dat | 2 +- .../abs/formylfluoride_CC3_aug-cc-pVQZ.dat | 2 +- .../abs/formylfluoride_CC3_aug-cc-pVTZ.dat | 2 +- .../formylfluoride_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../formylfluoride_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../abs/formylfluoride_CCSDTQ_6-31+G(d).dat | 2 +- .../abs/formylfluoride_CCSDT_6-31+G(d).dat | 2 +- .../abs/formylfluoride_CCSDT_aug-cc-pVDZ.dat | 2 +- .../abs/formylfluoride_CCSDT_aug-cc-pVTZ.dat | 2 +- .../abs/formylfluoride_CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/formylfluoride_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../formylfluoride_EOM-MP2_aug-cc-pVTZ.dat | 2 +- .../abs/formylfluoride_FCI_aug-cc-pVDZ.dat | 2 +- ...ormylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- ...ylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- ...ylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- ...ormylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- .../formylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- .../data/abs/formylfluoride_TBE(Full)_CBS.dat | 2 +- .../abs/formylfluoride_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/furan_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/furan_CC2_aug-cc-pVTZ.dat | 2 +- .../data/abs/furan_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/furan_CC3_6-31+G(d).dat | 2 +- static/data/abs/furan_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/furan_CC3_aug-cc-pVQZ.dat | 2 +- static/data/abs/furan_CC3_aug-cc-pVTZ.dat | 2 +- .../data/abs/furan_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/furan_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/furan_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/furan_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/furan_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/furan_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/furan_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/furan_NEVPT2_aug-cc-pVTZ.dat | 2 +- .../data/abs/furan_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/furan_TBE(Full)_CBS.dat | 2 +- static/data/abs/furan_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/furan_exp.dat | 2 +- .../data/abs/glyoxal_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../abs/glyoxal_CASPT2_6-31+G(d)_double.dat | 2 +- .../abs/glyoxal_CASPT2_aug-cc-pVDZ_double.dat | 2 +- .../abs/glyoxal_CASPT2_aug-cc-pVQZ_double.dat | 2 +- .../abs/glyoxal_CASPT2_aug-cc-pVTZ_double.dat | 2 +- static/data/abs/glyoxal_CC2_aug-cc-pVTZ.dat | 2 +- .../abs/glyoxal_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/glyoxal_CC3_6-31+G(d).dat | 2 +- .../data/abs/glyoxal_CC3_6-31+G(d)_double.dat | 2 +- static/data/abs/glyoxal_CC3_aug-cc-pV5Z.dat | 2 +- static/data/abs/glyoxal_CC3_aug-cc-pVDZ.dat | 2 +- .../abs/glyoxal_CC3_aug-cc-pVDZ_double.dat | 2 +- static/data/abs/glyoxal_CC3_aug-cc-pVQZ.dat | 2 +- .../abs/glyoxal_CC3_aug-cc-pVQZ_double.dat | 2 +- static/data/abs/glyoxal_CC3_aug-cc-pVTZ.dat | 2 +- .../abs/glyoxal_CC3_aug-cc-pVTZ_double.dat | 2 +- static/data/abs/glyoxal_CC3_d-aug-cc-pVQZ.dat | 2 +- .../data/abs/glyoxal_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../data/abs/glyoxal_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/glyoxal_CCSDTQ_6-31+G(d).dat | 2 +- static/data/abs/glyoxal_CCSDT_6-31+G(d).dat | 2 +- .../abs/glyoxal_CCSDT_6-31+G(d)_double.dat | 2 +- static/data/abs/glyoxal_CCSDT_aug-cc-pVDZ.dat | 2 +- .../abs/glyoxal_CCSDT_aug-cc-pVDZ_double.dat | 2 +- static/data/abs/glyoxal_CCSDT_aug-cc-pVTZ.dat | 2 +- .../abs/glyoxal_CCSDT_aug-cc-pVTZ_double.dat | 2 +- static/data/abs/glyoxal_CCSD_aug-cc-pVTZ.dat | 2 +- .../data/abs/glyoxal_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/glyoxal_FCI_6-31+G(d).dat | 2 +- .../data/abs/glyoxal_FCI_6-31+G(d)_double.dat | 2 +- .../abs/glyoxal_FCI_aug-cc-pVDZ_double.dat | 2 +- .../data/abs/glyoxal_NEVPT2_aug-cc-pVTZ.dat | 2 +- .../glyoxal_PC-NEVPT2_6-31+G(d)_double.dat | 2 +- .../glyoxal_PC-NEVPT2_aug-cc-pVDZ_double.dat | 2 +- .../glyoxal_PC-NEVPT2_aug-cc-pVQZ_double.dat | 2 +- .../glyoxal_PC-NEVPT2_aug-cc-pVTZ_double.dat | 2 +- .../glyoxal_SC-NEVPT2_6-31+G(d)_double.dat | 2 +- .../glyoxal_SC-NEVPT2_aug-cc-pVDZ_double.dat | 2 +- .../glyoxal_SC-NEVPT2_aug-cc-pVQZ_double.dat | 2 +- .../glyoxal_SC-NEVPT2_aug-cc-pVTZ_double.dat | 2 +- .../abs/glyoxal_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/glyoxal_TBE(Full)_CBS.dat | 2 +- static/data/abs/glyoxal_TBE_CBS_double.dat | 2 +- static/data/abs/glyoxal_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/glyoxal_exp.dat | 2 +- static/data/abs/h2bo_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2bo_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2bo_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2bo_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2bo_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2po_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2po_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2po_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2po_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2po_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2ps_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2ps_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2ps_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2ps_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2ps_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_CC2_aug-cc-pVTZ.dat | 2 +- .../data/abs/hccl_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- .../data/abs/hccl_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hccl_CC3(SC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hccl_CC3_6-31+G(d).dat | 2 +- static/data/abs/hccl_CC3_aug-cc-pV5Z.dat | 2 +- static/data/abs/hccl_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/hccl_CC3_aug-cc-pVQZ.dat | 2 +- static/data/abs/hccl_CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_CCSDTQP_6-31+G(d).dat | 2 +- static/data/abs/hccl_CCSDTQ_6-31+G(d).dat | 2 +- static/data/abs/hccl_CCSDTQ_aug-cc-pVDZ.dat | 2 +- static/data/abs/hccl_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/hccl_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/hccl_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_EOM-MP2_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/hccl_FCI_aug-cc-pVTZ.dat | 2 +- .../abs/hccl_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- .../abs/hccl_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- .../abs/hccl_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- .../abs/hccl_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- .../data/abs/hccl_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_TBE(Full)_CBS.dat | 2 +- static/data/abs/hccl_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_CC2_aug-cc-pVTZ.dat | 2 +- .../data/abs/hcf_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- static/data/abs/hcf_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hcf_CC3_6-31+G(d).dat | 2 +- static/data/abs/hcf_CC3_aug-cc-pV5Z.dat | 2 +- static/data/abs/hcf_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/hcf_CC3_aug-cc-pVQZ.dat | 2 +- static/data/abs/hcf_CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_CCSDTQP_6-31+G(d).dat | 2 +- static/data/abs/hcf_CCSDTQ_6-31+G(d).dat | 2 +- static/data/abs/hcf_CCSDTQ_aug-cc-pVDZ.dat | 2 +- static/data/abs/hcf_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/hcf_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/hcf_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_EOM-MP2_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/hcf_FCI_aug-cc-pVTZ.dat | 2 +- .../data/abs/hcf_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- .../abs/hcf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- .../abs/hcf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- .../data/abs/hcf_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- .../data/abs/hcf_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_TBE(Full)_CBS.dat | 2 +- static/data/abs/hcf_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/hco_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hco_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hco_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/hco_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hco_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_CC2_aug-cc-pVTZ.dat | 2 +- .../data/abs/hcp_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- static/data/abs/hcp_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hcp_CC3(SC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hcp_CC3_6-31+G(d).dat | 2 +- static/data/abs/hcp_CC3_aug-cc-pV5Z.dat | 2 +- static/data/abs/hcp_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/hcp_CC3_aug-cc-pVQZ.dat | 2 +- static/data/abs/hcp_CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_CCSDTQP_6-31+G(d).dat | 2 +- static/data/abs/hcp_CCSDTQ_6-31+G(d).dat | 2 +- static/data/abs/hcp_CCSDTQ_aug-cc-pVDZ.dat | 2 +- static/data/abs/hcp_CCSDTQ_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/hcp_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/hcp_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_EOM-MP2_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/hcp_FCI_aug-cc-pVTZ.dat | 2 +- .../data/abs/hcp_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- .../abs/hcp_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- .../abs/hcp_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- .../data/abs/hcp_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- .../data/abs/hcp_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_TBE(Full)_CBS.dat | 2 +- static/data/abs/hcp_TBE_aug-cc-pVTZ.dat | 2 +- .../hexatriene_CASPT2_6-31+G(d)_double.dat | 2 +- .../hexatriene_CASPT2_aug-cc-pVDZ_double.dat | 2 +- .../hexatriene_CASPT2_aug-cc-pVQZ_double.dat | 2 +- .../hexatriene_CASPT2_aug-cc-pVTZ_double.dat | 2 +- .../abs/hexatriene_CC3_6-31+G(d)_double.dat | 2 +- .../abs/hexatriene_CC3_aug-cc-pVDZ_double.dat | 2 +- .../abs/hexatriene_CCSDT_6-31+G(d)_double.dat | 2 +- .../hexatriene_PC-NEVPT2_6-31+G(d)_double.dat | 2 +- ...exatriene_PC-NEVPT2_aug-cc-pVDZ_double.dat | 2 +- ...exatriene_PC-NEVPT2_aug-cc-pVQZ_double.dat | 2 +- ...exatriene_PC-NEVPT2_aug-cc-pVTZ_double.dat | 2 +- .../hexatriene_SC-NEVPT2_6-31+G(d)_double.dat | 2 +- ...exatriene_SC-NEVPT2_aug-cc-pVDZ_double.dat | 2 +- ...exatriene_SC-NEVPT2_aug-cc-pVQZ_double.dat | 2 +- ...exatriene_SC-NEVPT2_aug-cc-pVTZ_double.dat | 2 +- static/data/abs/hexatriene_TBE_CBS_double.dat | 2 +- static/data/abs/hoc_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hoc_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hoc_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/hoc_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hoc_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_CC2_aug-cc-pVTZ.dat | 2 +- .../data/abs/hpo_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- static/data/abs/hpo_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hpo_CC3(SC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hpo_CC3_6-31+G(d).dat | 2 +- static/data/abs/hpo_CC3_aug-cc-pV5Z.dat | 2 +- static/data/abs/hpo_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/hpo_CC3_aug-cc-pVQZ.dat | 2 +- static/data/abs/hpo_CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_CCSDTQP_6-31+G(d).dat | 2 +- static/data/abs/hpo_CCSDTQ_6-31+G(d).dat | 2 +- static/data/abs/hpo_CCSDTQ_aug-cc-pVDZ.dat | 2 +- static/data/abs/hpo_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/hpo_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/hpo_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_EOM-MP2_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/hpo_FCI_aug-cc-pVTZ.dat | 2 +- .../data/abs/hpo_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- .../abs/hpo_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- .../abs/hpo_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- .../data/abs/hpo_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- .../data/abs/hpo_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_TBE(Full)_CBS.dat | 2 +- static/data/abs/hpo_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_CC2_aug-cc-pVTZ.dat | 2 +- .../data/abs/hps_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- static/data/abs/hps_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hps_CC3(SC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hps_CC3_6-31+G(d).dat | 2 +- static/data/abs/hps_CC3_aug-cc-pV5Z.dat | 2 +- static/data/abs/hps_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/hps_CC3_aug-cc-pVQZ.dat | 2 +- static/data/abs/hps_CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_CCSDTQP_6-31+G(d).dat | 2 +- static/data/abs/hps_CCSDTQ_6-31+G(d).dat | 2 +- static/data/abs/hps_CCSDTQ_aug-cc-pVDZ.dat | 2 +- static/data/abs/hps_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/hps_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/hps_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_EOM-MP2_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/hps_FCI_aug-cc-pVTZ.dat | 2 +- .../data/abs/hps_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- .../abs/hps_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- .../abs/hps_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- .../data/abs/hps_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- .../data/abs/hps_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_TBE(Full)_CBS.dat | 2 +- static/data/abs/hps_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_CC2_aug-cc-pVTZ.dat | 2 +- .../data/abs/hsif_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- .../data/abs/hsif_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hsif_CC3(SC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hsif_CC3_6-31+G(d).dat | 2 +- static/data/abs/hsif_CC3_aug-cc-pV5Z.dat | 2 +- static/data/abs/hsif_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/hsif_CC3_aug-cc-pVQZ.dat | 2 +- static/data/abs/hsif_CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_CCSDTQP_6-31+G(d).dat | 2 +- static/data/abs/hsif_CCSDTQ_6-31+G(d).dat | 2 +- static/data/abs/hsif_CCSDTQ_aug-cc-pVDZ.dat | 2 +- static/data/abs/hsif_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/hsif_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/hsif_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_EOM-MP2_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/hsif_FCI_aug-cc-pVTZ.dat | 2 +- .../abs/hsif_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- .../abs/hsif_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- .../abs/hsif_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- .../abs/hsif_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- .../data/abs/hsif_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_TBE(Full)_CBS.dat | 2 +- static/data/abs/hsif_TBE_aug-cc-pVTZ.dat | 2 +- .../hydrogen_chloride_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../hydrogen_chloride_ADC(3)_aug-cc-pVTZ.dat | 2 +- .../abs/hydrogen_chloride_CC2_aug-cc-pVTZ.dat | 2 +- ...ydrogen_chloride_CC3(Full)_aug-cc-pV5Z.dat | 2 +- ...ydrogen_chloride_CC3(Full)_aug-cc-pVQZ.dat | 2 +- ...rogen_chloride_CC3(Full)_d-aug-cc-pV5Z.dat | 2 +- ...rogen_chloride_CC3(Full)_d-aug-cc-pVQZ.dat | 2 +- ...rogen_chloride_CC3(Full)_t-aug-cc-pVQZ.dat | 2 +- .../abs/hydrogen_chloride_CC3_6-31+G(d).dat | 2 +- .../abs/hydrogen_chloride_CC3_aug-cc-pVDZ.dat | 2 +- .../abs/hydrogen_chloride_CC3_aug-cc-pVQZ.dat | 2 +- .../abs/hydrogen_chloride_CC3_aug-cc-pVTZ.dat | 2 +- .../hydrogen_chloride_CC3_d-aug-cc-pVQZ.dat | 2 +- .../hydrogen_chloride_CC3_d-aug-cc-pVTZ.dat | 2 +- .../hydrogen_chloride_CC3_t-aug-cc-pVQZ.dat | 2 +- ...hydrogen_chloride_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../hydrogen_chloride_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../hydrogen_chloride_CCSDTQP_aug-cc-pVDZ.dat | 2 +- .../hydrogen_chloride_CCSDTQ_6-31+G(d).dat | 2 +- .../hydrogen_chloride_CCSDTQ_aug-cc-pVDZ.dat | 2 +- .../hydrogen_chloride_CCSDTQ_aug-cc-pVTZ.dat | 2 +- .../abs/hydrogen_chloride_CCSDT_6-31+G(d).dat | 2 +- .../hydrogen_chloride_CCSDT_aug-cc-pVDZ.dat | 2 +- .../hydrogen_chloride_CCSDT_aug-cc-pVQZ.dat | 2 +- .../hydrogen_chloride_CCSDT_aug-cc-pVTZ.dat | 2 +- .../hydrogen_chloride_CCSD_aug-cc-pVTZ.dat | 2 +- .../hydrogen_chloride_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../hydrogen_chloride_CIS(D∞)_aug-cc-pVTZ.dat | 2 +- .../abs/hydrogen_chloride_FCI_aug-cc-pVDZ.dat | 2 +- .../abs/hydrogen_chloride_FCI_aug-cc-pVQZ.dat | 2 +- .../abs/hydrogen_chloride_FCI_aug-cc-pVTZ.dat | 2 +- ...drogen_chloride_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/hydrogen_chloride_TBE(Full)_CBS.dat | 2 +- .../abs/hydrogen_chloride_TBE_aug-cc-pVTZ.dat | 2 +- .../hydrogen_sulfide_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../hydrogen_sulfide_ADC(3)_aug-cc-pVTZ.dat | 2 +- .../abs/hydrogen_sulfide_CC2_aug-cc-pVTZ.dat | 2 +- ...hydrogen_sulfide_CC3(Full)_aug-cc-pV5Z.dat | 2 +- ...hydrogen_sulfide_CC3(Full)_aug-cc-pVQZ.dat | 2 +- ...drogen_sulfide_CC3(Full)_d-aug-cc-pV5Z.dat | 2 +- ...drogen_sulfide_CC3(Full)_d-aug-cc-pVQZ.dat | 2 +- ...drogen_sulfide_CC3(Full)_t-aug-cc-pVQZ.dat | 2 +- .../abs/hydrogen_sulfide_CC3_6-31+G(d).dat | 2 +- .../abs/hydrogen_sulfide_CC3_aug-cc-pVDZ.dat | 2 +- .../abs/hydrogen_sulfide_CC3_aug-cc-pVQZ.dat | 2 +- .../abs/hydrogen_sulfide_CC3_aug-cc-pVTZ.dat | 2 +- .../hydrogen_sulfide_CC3_d-aug-cc-pVQZ.dat | 2 +- .../hydrogen_sulfide_CC3_d-aug-cc-pVTZ.dat | 2 +- .../hydrogen_sulfide_CC3_t-aug-cc-pVQZ.dat | 2 +- .../hydrogen_sulfide_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../hydrogen_sulfide_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../hydrogen_sulfide_CCSDTQP_aug-cc-pVDZ.dat | 2 +- .../abs/hydrogen_sulfide_CCSDTQ_6-31+G(d).dat | 2 +- .../hydrogen_sulfide_CCSDTQ_aug-cc-pVDZ.dat | 2 +- .../hydrogen_sulfide_CCSDTQ_aug-cc-pVTZ.dat | 2 +- .../abs/hydrogen_sulfide_CCSDT_6-31+G(d).dat | 2 +- .../hydrogen_sulfide_CCSDT_aug-cc-pVDZ.dat | 2 +- .../hydrogen_sulfide_CCSDT_aug-cc-pVQZ.dat | 2 +- .../hydrogen_sulfide_CCSDT_aug-cc-pVTZ.dat | 2 +- .../abs/hydrogen_sulfide_CCSD_aug-cc-pVTZ.dat | 2 +- .../hydrogen_sulfide_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../hydrogen_sulfide_CIS(D∞)_aug-cc-pVTZ.dat | 2 +- .../abs/hydrogen_sulfide_FCI_aug-cc-pVDZ.dat | 2 +- .../abs/hydrogen_sulfide_FCI_aug-cc-pVQZ.dat | 2 +- .../abs/hydrogen_sulfide_FCI_aug-cc-pVTZ.dat | 2 +- ...ydrogen_sulfide_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/hydrogen_sulfide_TBE(Full)_CBS.dat | 2 +- .../abs/hydrogen_sulfide_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/hydrogen_sulfide_exp.dat | 2 +- .../data/abs/imidazole_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/imidazole_CC2_aug-cc-pVTZ.dat | 2 +- static/data/abs/imidazole_CC3_6-31+G(d).dat | 2 +- static/data/abs/imidazole_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/imidazole_CC3_aug-cc-pVQZ.dat | 2 +- static/data/abs/imidazole_CC3_aug-cc-pVTZ.dat | 2 +- .../abs/imidazole_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../abs/imidazole_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/imidazole_CCSDT_6-31+G(d).dat | 2 +- .../data/abs/imidazole_CCSDT_aug-cc-pVDZ.dat | 2 +- .../data/abs/imidazole_CCSD_aug-cc-pVTZ.dat | 2 +- .../data/abs/imidazole_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../data/abs/imidazole_NEVPT2_aug-cc-pVTZ.dat | 2 +- .../abs/imidazole_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/imidazole_TBE(Full)_CBS.dat | 2 +- static/data/abs/imidazole_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/imidazole_exp.dat | 2 +- .../data/abs/isobutene_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/isobutene_CC2_aug-cc-pVTZ.dat | 2 +- .../abs/isobutene_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/isobutene_CC3_6-31+G(d).dat | 2 +- static/data/abs/isobutene_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/isobutene_CC3_aug-cc-pVQZ.dat | 2 +- static/data/abs/isobutene_CC3_aug-cc-pVTZ.dat | 2 +- .../abs/isobutene_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../abs/isobutene_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/isobutene_CCSDT_6-31+G(d).dat | 2 +- .../data/abs/isobutene_CCSDT_aug-cc-pVDZ.dat | 2 +- .../data/abs/isobutene_CCSDT_aug-cc-pVTZ.dat | 2 +- .../data/abs/isobutene_CCSD_aug-cc-pVTZ.dat | 2 +- .../data/abs/isobutene_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/isobutene_FCI_6-31+G(d).dat | 2 +- .../data/abs/isobutene_NEVPT2_aug-cc-pVTZ.dat | 2 +- .../abs/isobutene_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/isobutene_TBE(Full)_CBS.dat | 2 +- static/data/abs/isobutene_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/isobutene_exp.dat | 2 +- static/data/abs/ketene_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/ketene_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/ketene_CC2_aug-cc-pVTZ.dat | 2 +- .../data/abs/ketene_CC3(Full)_aug-cc-pVQZ.dat | 2 +- .../abs/ketene_CC3(Full)_d-aug-cc-pVQZ.dat | 2 +- static/data/abs/ketene_CC3_6-31+G(d).dat | 2 +- static/data/abs/ketene_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/ketene_CC3_aug-cc-pVQZ.dat | 2 +- static/data/abs/ketene_CC3_aug-cc-pVTZ.dat | 2 +- .../data/abs/ketene_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../data/abs/ketene_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/ketene_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/ketene_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/ketene_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/ketene_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/ketene_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../data/abs/ketene_CIS(D∞)_aug-cc-pVTZ.dat | 2 +- static/data/abs/ketene_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/ketene_FCI_aug-cc-pVTZ.dat | 2 +- .../abs/ketene_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/ketene_TBE(Full)_CBS.dat | 2 +- static/data/abs/ketene_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/ketene_exp.dat | 2 +- .../abs/methanimine_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../abs/methanimine_ADC(3)_aug-cc-pVTZ.dat | 2 +- .../data/abs/methanimine_CC2_aug-cc-pVTZ.dat | 2 +- .../abs/methanimine_CC3(Full)_aug-cc-pV5Z.dat | 2 +- .../abs/methanimine_CC3(Full)_aug-cc-pVQZ.dat | 2 +- .../methanimine_CC3(Full)_d-aug-cc-pVQZ.dat | 2 +- static/data/abs/methanimine_CC3_6-31+G(d).dat | 2 +- .../data/abs/methanimine_CC3_aug-cc-pVDZ.dat | 2 +- .../data/abs/methanimine_CC3_aug-cc-pVQZ.dat | 2 +- .../data/abs/methanimine_CC3_aug-cc-pVTZ.dat | 2 +- .../abs/methanimine_CC3_d-aug-cc-pVQZ.dat | 2 +- .../abs/methanimine_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../abs/methanimine_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../data/abs/methanimine_CCSDTQ_6-31+G(d).dat | 2 +- .../abs/methanimine_CCSDTQ_aug-cc-pVDZ.dat | 2 +- .../abs/methanimine_CCSDTQ_aug-cc-pVTZ.dat | 2 +- .../data/abs/methanimine_CCSDT_6-31+G(d).dat | 2 +- .../abs/methanimine_CCSDT_aug-cc-pVDZ.dat | 2 +- .../abs/methanimine_CCSDT_aug-cc-pVTZ.dat | 2 +- .../data/abs/methanimine_CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/methanimine_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../abs/methanimine_CIS(D∞)_aug-cc-pVTZ.dat | 2 +- .../data/abs/methanimine_FCI_aug-cc-pVDZ.dat | 2 +- .../data/abs/methanimine_FCI_aug-cc-pVTZ.dat | 2 +- .../methanimine_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/methanimine_TBE(Full)_CBS.dat | 2 +- .../data/abs/methanimine_TBE_aug-cc-pVTZ.dat | 2 +- ...thylenecyclopropene_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../methylenecyclopropene_CC2_aug-cc-pVTZ.dat | 2 +- ...lenecyclopropene_CC3(Full)_aug-cc-pVQZ.dat | 2 +- .../methylenecyclopropene_CC3_6-31+G(d).dat | 2 +- .../methylenecyclopropene_CC3_aug-cc-pV5Z.dat | 2 +- .../methylenecyclopropene_CC3_aug-cc-pVDZ.dat | 2 +- .../methylenecyclopropene_CC3_aug-cc-pVQZ.dat | 2 +- .../methylenecyclopropene_CC3_aug-cc-pVTZ.dat | 2 +- ...ethylenecyclopropene_CC3_d-aug-cc-pVQZ.dat | 2 +- ...ylenecyclopropene_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- ...hylenecyclopropene_CCSDT-3_aug-cc-pVTZ.dat | 2 +- ...methylenecyclopropene_CCSDTQ_6-31+G(d).dat | 2 +- .../methylenecyclopropene_CCSDT_6-31+G(d).dat | 2 +- ...ethylenecyclopropene_CCSDT_aug-cc-pVDZ.dat | 2 +- ...ethylenecyclopropene_CCSDT_aug-cc-pVTZ.dat | 2 +- ...methylenecyclopropene_CCSD_aug-cc-pVTZ.dat | 2 +- ...thylenecyclopropene_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../methylenecyclopropene_FCI_6-31+G(d).dat | 2 +- ...thylenecyclopropene_NEVPT2_aug-cc-pVTZ.dat | 2 +- ...enecyclopropene_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- .../methylenecyclopropene_TBE(Full)_CBS.dat | 2 +- .../methylenecyclopropene_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/methylenecyclopropene_exp.dat | 2 +- static/data/abs/nco_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/nco_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/nco_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/nco_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/nco_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/nh2_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/nh2_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/nh2_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/nh2_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/nh2_U-CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/nitromethyl_RO-CC3_aug-cc-pVTZ.dat | 2 +- .../abs/nitromethyl_RO-CCSD_aug-cc-pVTZ.dat | 2 +- .../data/abs/nitromethyl_TBE_aug-cc-pVTZ.dat | 2 +- .../abs/nitromethyl_U-CC3_aug-cc-pVTZ.dat | 2 +- .../abs/nitromethyl_U-CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/nitrosomethane_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../abs/nitrosomethane_ADC(3)_aug-cc-pVTZ.dat | 2 +- ...nitrosomethane_CASPT2_6-31+G(d)_double.dat | 2 +- ...trosomethane_CASPT2_aug-cc-pVDZ_double.dat | 2 +- ...trosomethane_CASPT2_aug-cc-pVQZ_double.dat | 2 +- ...trosomethane_CASPT2_aug-cc-pVTZ_double.dat | 2 +- .../abs/nitrosomethane_CC2_aug-cc-pVTZ.dat | 2 +- .../nitrosomethane_CC3(Full)_aug-cc-pVQZ.dat | 2 +- .../data/abs/nitrosomethane_CC3_6-31+G(d).dat | 2 +- .../nitrosomethane_CC3_6-31+G(d)_double.dat | 2 +- .../abs/nitrosomethane_CC3_aug-cc-pVDZ.dat | 2 +- .../nitrosomethane_CC3_aug-cc-pVDZ_double.dat | 2 +- .../abs/nitrosomethane_CC3_aug-cc-pVQZ.dat | 2 +- .../nitrosomethane_CC3_aug-cc-pVQZ_double.dat | 2 +- .../abs/nitrosomethane_CC3_aug-cc-pVTZ.dat | 2 +- .../nitrosomethane_CC3_aug-cc-pVTZ_double.dat | 2 +- .../nitrosomethane_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../nitrosomethane_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../abs/nitrosomethane_CCSDT_6-31+G(d).dat | 2 +- .../nitrosomethane_CCSDT_6-31+G(d)_double.dat | 2 +- .../abs/nitrosomethane_CCSDT_aug-cc-pVDZ.dat | 2 +- ...itrosomethane_CCSDT_aug-cc-pVDZ_double.dat | 2 +- .../abs/nitrosomethane_CCSDT_aug-cc-pVTZ.dat | 2 +- ...itrosomethane_CCSDT_aug-cc-pVTZ_double.dat | 2 +- .../abs/nitrosomethane_CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/nitrosomethane_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../nitrosomethane_CIS(D∞)_aug-cc-pVTZ.dat | 2 +- .../nitrosomethane_FCI_6-31+G(d)_double.dat | 2 +- .../abs/nitrosomethane_FCI_aug-cc-pVDZ.dat | 2 +- .../nitrosomethane_FCI_aug-cc-pVDZ_double.dat | 2 +- .../abs/nitrosomethane_FCI_aug-cc-pVTZ.dat | 2 +- .../nitrosomethane_FCI_aug-cc-pVTZ_double.dat | 2 +- ...rosomethane_PC-NEVPT2_6-31+G(d)_double.dat | 2 +- ...somethane_PC-NEVPT2_aug-cc-pVDZ_double.dat | 2 +- ...somethane_PC-NEVPT2_aug-cc-pVQZ_double.dat | 2 +- ...somethane_PC-NEVPT2_aug-cc-pVTZ_double.dat | 2 +- ...rosomethane_SC-NEVPT2_6-31+G(d)_double.dat | 2 +- ...somethane_SC-NEVPT2_aug-cc-pVDZ_double.dat | 2 +- ...somethane_SC-NEVPT2_aug-cc-pVQZ_double.dat | 2 +- ...somethane_SC-NEVPT2_aug-cc-pVTZ_double.dat | 2 +- .../nitrosomethane_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- .../data/abs/nitrosomethane_TBE(Full)_CBS.dat | 2 +- .../abs/nitrosomethane_TBE_CBS_double.dat | 2 +- .../abs/nitrosomethane_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/nitrosomethane_exp.dat | 2 +- .../abs/nitroxyl_CASPT2_6-31+G(d)_double.dat | 2 +- .../nitroxyl_CASPT2_aug-cc-pVDZ_double.dat | 2 +- .../nitroxyl_CASPT2_aug-cc-pVQZ_double.dat | 2 +- .../nitroxyl_CASPT2_aug-cc-pVTZ_double.dat | 2 +- .../abs/nitroxyl_CC3_6-31+G(d)_double.dat | 2 +- .../abs/nitroxyl_CC3_aug-cc-pVDZ_double.dat | 2 +- .../abs/nitroxyl_CC3_aug-cc-pVQZ_double.dat | 2 +- .../abs/nitroxyl_CC3_aug-cc-pVTZ_double.dat | 2 +- .../abs/nitroxyl_CCSDTQP_6-31+G(d)_double.dat | 2 +- .../abs/nitroxyl_CCSDTQ_6-31+G(d)_double.dat | 2 +- .../nitroxyl_CCSDTQ_aug-cc-pVDZ_double.dat | 2 +- .../abs/nitroxyl_CCSDT_6-31+G(d)_double.dat | 2 +- .../abs/nitroxyl_CCSDT_aug-cc-pVDZ_double.dat | 2 +- .../abs/nitroxyl_CCSDT_aug-cc-pVQZ_double.dat | 2 +- .../abs/nitroxyl_CCSDT_aug-cc-pVTZ_double.dat | 2 +- .../abs/nitroxyl_FCI_6-31+G(d)_double.dat | 2 +- .../abs/nitroxyl_FCI_aug-cc-pVDZ_double.dat | 2 +- .../abs/nitroxyl_FCI_aug-cc-pVQZ_double.dat | 2 +- .../abs/nitroxyl_FCI_aug-cc-pVTZ_double.dat | 2 +- .../nitroxyl_PC-NEVPT2_6-31+G(d)_double.dat | 2 +- .../nitroxyl_PC-NEVPT2_aug-cc-pVDZ_double.dat | 2 +- .../nitroxyl_PC-NEVPT2_aug-cc-pVQZ_double.dat | 2 +- .../nitroxyl_PC-NEVPT2_aug-cc-pVTZ_double.dat | 2 +- .../nitroxyl_SC-NEVPT2_6-31+G(d)_double.dat | 2 +- .../nitroxyl_SC-NEVPT2_aug-cc-pVDZ_double.dat | 2 +- .../nitroxyl_SC-NEVPT2_aug-cc-pVQZ_double.dat | 2 +- .../nitroxyl_SC-NEVPT2_aug-cc-pVTZ_double.dat | 2 +- static/data/abs/nitroxyl_TBE_CBS_double.dat | 2 +- static/data/abs/no_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/no_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/no_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/no_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/no_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/oh_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/oh_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/oh_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/oh_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/oh_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/ph2_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/ph2_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/ph2_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/ph2_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/ph2_U-CCSD_aug-cc-pVTZ.dat | 2 +- .../data/abs/propynal_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/propynal_CC2_aug-cc-pVTZ.dat | 2 +- .../abs/propynal_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/propynal_CC3_6-31+G(d).dat | 2 +- static/data/abs/propynal_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/propynal_CC3_aug-cc-pVQZ.dat | 2 +- static/data/abs/propynal_CC3_aug-cc-pVTZ.dat | 2 +- .../data/abs/propynal_CC3_d-aug-cc-pVQZ.dat | 2 +- .../abs/propynal_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../data/abs/propynal_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/propynal_CCSDT_6-31+G(d).dat | 2 +- .../data/abs/propynal_CCSDT_aug-cc-pVDZ.dat | 2 +- .../data/abs/propynal_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/propynal_CCSD_aug-cc-pVTZ.dat | 2 +- .../data/abs/propynal_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/propynal_FCI_6-31+G(d).dat | 2 +- .../data/abs/propynal_NEVPT2_aug-cc-pVTZ.dat | 2 +- .../abs/propynal_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/propynal_TBE(Full)_CBS.dat | 2 +- static/data/abs/propynal_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/propynal_exp.dat | 2 +- .../data/abs/pyrazine_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../abs/pyrazine_CASPT2_6-31+G(d)_double.dat | 2 +- .../pyrazine_CASPT2_aug-cc-pVDZ_double.dat | 2 +- .../pyrazine_CASPT2_aug-cc-pVQZ_double.dat | 2 +- .../pyrazine_CASPT2_aug-cc-pVTZ_double.dat | 2 +- static/data/abs/pyrazine_CC2_aug-cc-pVTZ.dat | 2 +- .../abs/pyrazine_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/pyrazine_CC3_6-31+G(d).dat | 2 +- .../abs/pyrazine_CC3_6-31+G(d)_double.dat | 2 +- static/data/abs/pyrazine_CC3_aug-cc-pVDZ.dat | 2 +- .../abs/pyrazine_CC3_aug-cc-pVDZ_double.dat | 2 +- static/data/abs/pyrazine_CC3_aug-cc-pVQZ.dat | 2 +- static/data/abs/pyrazine_CC3_aug-cc-pVTZ.dat | 2 +- .../abs/pyrazine_CC3_aug-cc-pVTZ_double.dat | 2 +- .../abs/pyrazine_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../data/abs/pyrazine_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/pyrazine_CCSDT_6-31+G(d).dat | 2 +- .../data/abs/pyrazine_CCSDT_aug-cc-pVDZ.dat | 2 +- .../data/abs/pyrazine_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/pyrazine_CCSD_aug-cc-pVTZ.dat | 2 +- .../data/abs/pyrazine_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../data/abs/pyrazine_NEVPT2_aug-cc-pVTZ.dat | 2 +- .../pyrazine_PC-NEVPT2_6-31+G(d)_double.dat | 2 +- .../pyrazine_PC-NEVPT2_aug-cc-pVDZ_double.dat | 2 +- .../pyrazine_PC-NEVPT2_aug-cc-pVQZ_double.dat | 2 +- .../pyrazine_PC-NEVPT2_aug-cc-pVTZ_double.dat | 2 +- .../pyrazine_SC-NEVPT2_6-31+G(d)_double.dat | 2 +- .../pyrazine_SC-NEVPT2_aug-cc-pVDZ_double.dat | 2 +- .../pyrazine_SC-NEVPT2_aug-cc-pVQZ_double.dat | 2 +- .../pyrazine_SC-NEVPT2_aug-cc-pVTZ_double.dat | 2 +- .../abs/pyrazine_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/pyrazine_TBE(Full)_CBS.dat | 2 +- static/data/abs/pyrazine_TBE_CBS_double.dat | 2 +- static/data/abs/pyrazine_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/pyrazine_exp.dat | 2 +- .../abs/pyridazine_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../data/abs/pyridazine_CC2_aug-cc-pVTZ.dat | 2 +- static/data/abs/pyridazine_CC3_6-31+G(d).dat | 2 +- .../data/abs/pyridazine_CC3_aug-cc-pVDZ.dat | 2 +- .../data/abs/pyridazine_CC3_aug-cc-pVQZ.dat | 2 +- .../data/abs/pyridazine_CC3_aug-cc-pVTZ.dat | 2 +- .../abs/pyridazine_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../abs/pyridazine_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../data/abs/pyridazine_CCSDT_6-31+G(d).dat | 2 +- .../data/abs/pyridazine_CCSDT_aug-cc-pVDZ.dat | 2 +- .../data/abs/pyridazine_CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/pyridazine_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../abs/pyridazine_NEVPT2_aug-cc-pVTZ.dat | 2 +- .../abs/pyridazine_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/pyridazine_TBE(Full)_CBS.dat | 2 +- .../data/abs/pyridazine_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/pyridazine_exp.dat | 2 +- .../data/abs/pyridine_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/pyridine_CC2_aug-cc-pVTZ.dat | 2 +- static/data/abs/pyridine_CC3_6-31+G(d).dat | 2 +- static/data/abs/pyridine_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/pyridine_CC3_aug-cc-pVQZ.dat | 2 +- static/data/abs/pyridine_CC3_aug-cc-pVTZ.dat | 2 +- .../abs/pyridine_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../data/abs/pyridine_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/pyridine_CCSDT_6-31+G(d).dat | 2 +- .../data/abs/pyridine_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/pyridine_CCSD_aug-cc-pVTZ.dat | 2 +- .../data/abs/pyridine_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../data/abs/pyridine_NEVPT2_aug-cc-pVTZ.dat | 2 +- .../abs/pyridine_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/pyridine_TBE(Full)_CBS.dat | 2 +- static/data/abs/pyridine_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/pyridine_exp.dat | 2 +- .../abs/pyrimidine_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../data/abs/pyrimidine_CC2_aug-cc-pVTZ.dat | 2 +- static/data/abs/pyrimidine_CC3_6-31+G(d).dat | 2 +- .../data/abs/pyrimidine_CC3_aug-cc-pVDZ.dat | 2 +- .../data/abs/pyrimidine_CC3_aug-cc-pVQZ.dat | 2 +- .../data/abs/pyrimidine_CC3_aug-cc-pVTZ.dat | 2 +- .../abs/pyrimidine_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../abs/pyrimidine_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../data/abs/pyrimidine_CCSDT_6-31+G(d).dat | 2 +- .../data/abs/pyrimidine_CCSDT_aug-cc-pVDZ.dat | 2 +- .../data/abs/pyrimidine_CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/pyrimidine_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../abs/pyrimidine_NEVPT2_aug-cc-pVTZ.dat | 2 +- .../abs/pyrimidine_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/pyrimidine_TBE(Full)_CBS.dat | 2 +- .../data/abs/pyrimidine_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/pyrimidine_exp.dat | 2 +- .../data/abs/pyrrole_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/pyrrole_CC2_aug-cc-pVTZ.dat | 2 +- .../abs/pyrrole_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/pyrrole_CC3_6-31+G(d).dat | 2 +- static/data/abs/pyrrole_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/pyrrole_CC3_aug-cc-pVQZ.dat | 2 +- static/data/abs/pyrrole_CC3_aug-cc-pVTZ.dat | 2 +- .../data/abs/pyrrole_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../data/abs/pyrrole_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/pyrrole_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/pyrrole_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/pyrrole_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/pyrrole_CCSD_aug-cc-pVTZ.dat | 2 +- .../data/abs/pyrrole_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../data/abs/pyrrole_NEVPT2_aug-cc-pVTZ.dat | 2 +- .../abs/pyrrole_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/pyrrole_TBE(Full)_CBS.dat | 2 +- static/data/abs/pyrrole_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/pyrrole_exp.dat | 2 +- static/data/abs/sicl2_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../data/abs/sicl2_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_CC2_aug-cc-pVTZ.dat | 2 +- .../data/abs/sicl2_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- .../data/abs/sicl2_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/sicl2_CC3(SC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/sicl2_CC3_6-31+G(d).dat | 2 +- static/data/abs/sicl2_CC3_aug-cc-pV5Z.dat | 2 +- static/data/abs/sicl2_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/sicl2_CC3_aug-cc-pVQZ.dat | 2 +- static/data/abs/sicl2_CC3_aug-cc-pVTZ.dat | 2 +- .../data/abs/sicl2_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_CCSDTQ_6-31+G(d).dat | 2 +- static/data/abs/sicl2_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/sicl2_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/sicl2_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_EOM-MP2_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/sicl2_FCI_aug-cc-pVTZ.dat | 2 +- .../abs/sicl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- .../abs/sicl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- .../abs/sicl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- .../abs/sicl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- .../data/abs/sicl2_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_TBE(Full)_CBS.dat | 2 +- static/data/abs/sicl2_TBE_aug-cc-pVTZ.dat | 2 +- .../abs/silylidene_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../abs/silylidene_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- .../abs/silylidene_ADC(3)_aug-cc-pVTZ.dat | 2 +- .../data/abs/silylidene_CC2_aug-cc-pVTZ.dat | 2 +- .../abs/silylidene_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- .../abs/silylidene_CC3(Full)_aug-cc-pVQZ.dat | 2 +- .../abs/silylidene_CC3(SC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/silylidene_CC3_6-31+G(d).dat | 2 +- .../data/abs/silylidene_CC3_aug-cc-pV5Z.dat | 2 +- .../data/abs/silylidene_CC3_aug-cc-pVDZ.dat | 2 +- .../data/abs/silylidene_CC3_aug-cc-pVQZ.dat | 2 +- .../data/abs/silylidene_CC3_aug-cc-pVTZ.dat | 2 +- .../abs/silylidene_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../abs/silylidene_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../data/abs/silylidene_CCSDTQP_6-31+G(d).dat | 2 +- .../data/abs/silylidene_CCSDTQ_6-31+G(d).dat | 2 +- .../abs/silylidene_CCSDTQ_aug-cc-pVDZ.dat | 2 +- .../abs/silylidene_CCSDTQ_aug-cc-pVTZ.dat | 2 +- .../data/abs/silylidene_CCSDT_6-31+G(d).dat | 2 +- .../data/abs/silylidene_CCSDT_aug-cc-pVDZ.dat | 2 +- .../data/abs/silylidene_CCSDT_aug-cc-pVTZ.dat | 2 +- .../data/abs/silylidene_CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/silylidene_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../abs/silylidene_EOM-MP2_aug-cc-pVTZ.dat | 2 +- .../data/abs/silylidene_FCI_aug-cc-pVDZ.dat | 2 +- .../data/abs/silylidene_FCI_aug-cc-pVTZ.dat | 2 +- .../silylidene_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- ...silylidene_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- ...silylidene_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- .../silylidene_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- .../abs/silylidene_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/silylidene_TBE(Full)_CBS.dat | 2 +- .../data/abs/silylidene_TBE_aug-cc-pVTZ.dat | 2 +- .../streptocyanine-c1_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../streptocyanine-c1_ADC(3)_aug-cc-pVTZ.dat | 2 +- .../abs/streptocyanine-c1_CC2_aug-cc-pVTZ.dat | 2 +- ...treptocyanine-c1_CC3(Full)_aug-cc-pVQZ.dat | 2 +- .../abs/streptocyanine-c1_CC3_6-31+G(d).dat | 2 +- .../abs/streptocyanine-c1_CC3_aug-cc-pVDZ.dat | 2 +- .../abs/streptocyanine-c1_CC3_aug-cc-pVQZ.dat | 2 +- .../abs/streptocyanine-c1_CC3_aug-cc-pVTZ.dat | 2 +- ...streptocyanine-c1_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../streptocyanine-c1_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../abs/streptocyanine-c1_CCSDT_6-31+G(d).dat | 2 +- .../streptocyanine-c1_CCSDT_aug-cc-pVDZ.dat | 2 +- .../streptocyanine-c1_CCSDT_aug-cc-pVTZ.dat | 2 +- .../streptocyanine-c1_CCSD_aug-cc-pVTZ.dat | 2 +- .../streptocyanine-c1_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../streptocyanine-c1_CIS(D∞)_aug-cc-pVTZ.dat | 2 +- .../abs/streptocyanine-c1_FCI_aug-cc-pVDZ.dat | 2 +- .../abs/streptocyanine-c1_FCI_aug-cc-pVTZ.dat | 2 +- ...reptocyanine-c1_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/streptocyanine-c1_TBE(Full)_CBS.dat | 2 +- .../abs/streptocyanine-c1_TBE_aug-cc-pVTZ.dat | 2 +- .../data/abs/tetrazine_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../abs/tetrazine_CASPT2_6-31+G(d)_double.dat | 2 +- .../tetrazine_CASPT2_aug-cc-pVDZ_double.dat | 2 +- .../tetrazine_CASPT2_aug-cc-pVQZ_double.dat | 2 +- .../tetrazine_CASPT2_aug-cc-pVTZ_double.dat | 2 +- static/data/abs/tetrazine_CC2_aug-cc-pVTZ.dat | 2 +- .../abs/tetrazine_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/tetrazine_CC3_6-31+G(d).dat | 2 +- .../abs/tetrazine_CC3_6-31+G(d)_double.dat | 2 +- static/data/abs/tetrazine_CC3_aug-cc-pVDZ.dat | 2 +- .../abs/tetrazine_CC3_aug-cc-pVDZ_double.dat | 2 +- static/data/abs/tetrazine_CC3_aug-cc-pVQZ.dat | 2 +- .../abs/tetrazine_CC3_aug-cc-pVQZ_double.dat | 2 +- static/data/abs/tetrazine_CC3_aug-cc-pVTZ.dat | 2 +- .../abs/tetrazine_CC3_aug-cc-pVTZ_double.dat | 2 +- .../abs/tetrazine_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../abs/tetrazine_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/tetrazine_CCSDT_6-31+G(d).dat | 2 +- .../abs/tetrazine_CCSDT_6-31+G(d)_double.dat | 2 +- .../data/abs/tetrazine_CCSDT_aug-cc-pVDZ.dat | 2 +- .../tetrazine_CCSDT_aug-cc-pVDZ_double.dat | 2 +- .../data/abs/tetrazine_CCSDT_aug-cc-pVTZ.dat | 2 +- .../data/abs/tetrazine_CCSD_aug-cc-pVTZ.dat | 2 +- .../data/abs/tetrazine_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../data/abs/tetrazine_NEVPT2_aug-cc-pVTZ.dat | 2 +- .../tetrazine_PC-NEVPT2_6-31+G(d)_double.dat | 2 +- ...tetrazine_PC-NEVPT2_aug-cc-pVDZ_double.dat | 2 +- ...tetrazine_PC-NEVPT2_aug-cc-pVQZ_double.dat | 2 +- ...tetrazine_PC-NEVPT2_aug-cc-pVTZ_double.dat | 2 +- .../tetrazine_SC-NEVPT2_6-31+G(d)_double.dat | 2 +- ...tetrazine_SC-NEVPT2_aug-cc-pVDZ_double.dat | 2 +- ...tetrazine_SC-NEVPT2_aug-cc-pVQZ_double.dat | 2 +- ...tetrazine_SC-NEVPT2_aug-cc-pVTZ_double.dat | 2 +- .../abs/tetrazine_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/tetrazine_TBE(Full)_CBS.dat | 2 +- static/data/abs/tetrazine_TBE_CBS_double.dat | 2 +- static/data/abs/tetrazine_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/tetrazine_exp.dat | 2 +- .../abs/thioacetone_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../data/abs/thioacetone_CC2_aug-cc-pVTZ.dat | 2 +- .../abs/thioacetone_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/thioacetone_CC3_6-31+G(d).dat | 2 +- .../data/abs/thioacetone_CC3_aug-cc-pVDZ.dat | 2 +- .../data/abs/thioacetone_CC3_aug-cc-pVQZ.dat | 2 +- .../data/abs/thioacetone_CC3_aug-cc-pVTZ.dat | 2 +- .../abs/thioacetone_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../abs/thioacetone_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../data/abs/thioacetone_CCSDTQ_6-31+G(d).dat | 2 +- .../data/abs/thioacetone_CCSDT_6-31+G(d).dat | 2 +- .../abs/thioacetone_CCSDT_aug-cc-pVDZ.dat | 2 +- .../abs/thioacetone_CCSDT_aug-cc-pVTZ.dat | 2 +- .../data/abs/thioacetone_CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/thioacetone_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/thioacetone_FCI_6-31+G(d).dat | 2 +- .../abs/thioacetone_NEVPT2_aug-cc-pVTZ.dat | 2 +- .../thioacetone_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/thioacetone_TBE(Full)_CBS.dat | 2 +- .../data/abs/thioacetone_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/thioacetone_exp.dat | 2 +- .../thioformaldehyde_ADC(2)_aug-cc-pVTZ.dat | 2 +- .../thioformaldehyde_ADC(3)_aug-cc-pVTZ.dat | 2 +- .../abs/thioformaldehyde_CC2_aug-cc-pVTZ.dat | 2 +- ...thioformaldehyde_CC3(Full)_aug-cc-pV5Z.dat | 2 +- ...thioformaldehyde_CC3(Full)_aug-cc-pVQZ.dat | 2 +- ...ioformaldehyde_CC3(Full)_d-aug-cc-pVQZ.dat | 2 +- .../abs/thioformaldehyde_CC3_6-31+G(d).dat | 2 +- .../abs/thioformaldehyde_CC3_aug-cc-pVDZ.dat | 2 +- .../abs/thioformaldehyde_CC3_aug-cc-pVQZ.dat | 2 +- .../abs/thioformaldehyde_CC3_aug-cc-pVTZ.dat | 2 +- .../thioformaldehyde_CC3_d-aug-cc-pVQZ.dat | 2 +- .../thioformaldehyde_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../thioformaldehyde_CCSDT-3_aug-cc-pVTZ.dat | 2 +- .../abs/thioformaldehyde_CCSDTQ_6-31+G(d).dat | 2 +- .../thioformaldehyde_CCSDTQ_aug-cc-pVDZ.dat | 2 +- .../thioformaldehyde_CCSDTQ_aug-cc-pVTZ.dat | 2 +- .../abs/thioformaldehyde_CCSDT_6-31+G(d).dat | 2 +- .../thioformaldehyde_CCSDT_aug-cc-pVDZ.dat | 2 +- .../thioformaldehyde_CCSDT_aug-cc-pVTZ.dat | 2 +- .../abs/thioformaldehyde_CCSD_aug-cc-pVTZ.dat | 2 +- .../thioformaldehyde_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../thioformaldehyde_CIS(D∞)_aug-cc-pVTZ.dat | 2 +- .../abs/thioformaldehyde_FCI_aug-cc-pVDZ.dat | 2 +- .../abs/thioformaldehyde_FCI_aug-cc-pVTZ.dat | 2 +- ...hioformaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- .../abs/thioformaldehyde_TBE(Full)_CBS.dat | 2 +- .../abs/thioformaldehyde_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/thioformaldehyde_exp.dat | 2 +- .../data/abs/thiophene_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/thiophene_CC2_aug-cc-pVTZ.dat | 2 +- static/data/abs/thiophene_CC3_6-31+G(d).dat | 2 +- static/data/abs/thiophene_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/thiophene_CC3_aug-cc-pVQZ.dat | 2 +- static/data/abs/thiophene_CC3_aug-cc-pVTZ.dat | 2 +- .../abs/thiophene_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../abs/thiophene_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/thiophene_CCSDT_6-31+G(d).dat | 2 +- .../data/abs/thiophene_CCSDT_aug-cc-pVDZ.dat | 2 +- .../data/abs/thiophene_CCSDT_aug-cc-pVTZ.dat | 2 +- .../data/abs/thiophene_CCSD_aug-cc-pVTZ.dat | 2 +- .../data/abs/thiophene_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../data/abs/thiophene_NEVPT2_aug-cc-pVTZ.dat | 2 +- .../abs/thiophene_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- 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.../thiopropynal_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- .../data/abs/thiopropynal_TBE(Full)_CBS.dat | 2 +- .../data/abs/thiopropynal_TBE_aug-cc-pVTZ.dat | 2 +- static/data/abs/thiopropynal_exp.dat | 2 +- .../data/abs/triazine_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/triazine_CC2_aug-cc-pVTZ.dat | 2 +- static/data/abs/triazine_CC3_6-31+G(d).dat | 2 +- static/data/abs/triazine_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/triazine_CC3_aug-cc-pVQZ.dat | 2 +- static/data/abs/triazine_CC3_aug-cc-pVTZ.dat | 2 +- .../abs/triazine_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- .../data/abs/triazine_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/triazine_CCSDT_6-31+G(d).dat | 2 +- .../data/abs/triazine_CCSDT_aug-cc-pVDZ.dat | 2 +- .../data/abs/triazine_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/triazine_CCSD_aug-cc-pVTZ.dat | 2 +- .../data/abs/triazine_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../data/abs/triazine_NEVPT2_aug-cc-pVTZ.dat | 2 +- .../abs/triazine_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- 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.../thioformaldehyde_CIS(D)_aug-cc-pVTZ.dat | 2 +- .../thioformaldehyde_CIS(D∞)_aug-cc-pVTZ.dat | 2 +- .../fluo/thioformaldehyde_FCI_aug-cc-pVDZ.dat | 2 +- .../fluo/thioformaldehyde_FCI_aug-cc-pVTZ.dat | 2 +- ...hioformaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- .../fluo/thioformaldehyde_TBE(Full)_CBS.dat | 2 +- .../fluo/thioformaldehyde_TBE_aug-cc-pVTZ.dat | 2 +- static/js/DOICache.js | 14 +++- static/js/PubliDB.js | 12 ++-- static/js/data.js | 8 +-- 2140 files changed, 2195 insertions(+), 2183 deletions(-) diff --git a/content/dataset.html b/content/dataset.html index f25543df..bad4dfc2 100644 --- a/content/dataset.html +++ b/content/dataset.html @@ -98,12 +98,12 @@ draft: false var data = await loadAllData() window.defaultDats = [] for (const sub of Object.values(data)) { - for (const doi of new Set(sub.map(d => d.DOI))) { - const subdoi = sub.filter(d => (d.DOI == null ? "" : d.DOI) === doi) + for (const article of new Set(sub.map(d => d.article))) { + const subdoi = sub.filter(d => (d.article == null ? "" : d.article) === article) for (mol of uniq(subdoi.map(d => d.molecule))) { const submol = subdoi.filter(d => d.molecule === mol) const source = submol.find((d) => { - if ((d.DOI == null ? "" : d.DOI) === "10.1021/acs.jctc.8b01205") { + if ((d.article == null ? "" : d.article) === "10.1021/acs.jctc.8b01205") { return d.method.name === "CASPT2" && d.method.basis === "aug-cc-pVDZ" } else { return d.method.isTBE @@ -119,22 +119,22 @@ draft: false window.defaultDats = window.defaultDats.concat(sub) } - await doiCache.addRange(Array.from(new Set(window.defaultDats.filter(d => d.DOI !== null).map(d => d.DOI)))) + await doiCache.tryAddRange(Array.from(new Set(window.defaultDats.filter(d => d.article !== null).map(d => d.article)))) window.defaultDats = window.defaultDats.sort((datfa, datfb) => { - const DOIa = datfa.DOI - const DOIb = datfb.DOI - if (DOIa == null && DOIb == null) { + const articleA = datfa.article + const articleB = datfb.article + if ([articleA,articleB].every(art=>!doiCache.has(art))) { return 0 } - else if (DOIa == null) { + else if (!doiCache.has(articleA)) { return 1 } - else if (DOIb == null) { + else if (!doiCache.has(articleB)) { return -1 } else { - const puba = doiCache.get(DOIa).format('data', { format: 'object' })[0] - const pubb = doiCache.get(DOIb).format('data', { format: 'object' })[0] + const puba = doiCache.get(articleA).format('data', { format: 'object' })[0] + const pubb = doiCache.get(articleB).format('data', { format: 'object' })[0] return pubUtils.getIssuedDate(puba) - pubUtils.getIssuedDate(pubb) } }) @@ -152,7 +152,7 @@ draft: false } } } - reloadSelect("DOI") + reloadSelect("article") } async function clearSelect(BeforeName = null) { var selects = ((BeforeName == null) ? getAllSelect() : getAllSelectAfter(BeforeName, true)) @@ -195,7 +195,7 @@ draft: false function getAllVals(select) { var baseval = $(select).val() switch (select.name) { - case "DOI": + case "article": vals=baseval.reduce((accumulator,currentValue)=>accumulator.concat(JSON.parse(currentValue)),[]) return vals break; @@ -220,7 +220,7 @@ draft: false }) }).map((d) => getSelectValue(d, name))) const publis = await (async () => { - if (name === "DOI") { + if (name === "article") { const publis = await publiDB.loadAsync() return publis } @@ -228,7 +228,7 @@ draft: false return undefined } })() - if (name === "DOI") { + if (name === "article") { let newvals = [] for (const val of vals) { if (val==="") { @@ -248,7 +248,7 @@ draft: false } textSelctor = function (value) { switch (name) { - case "DOI": + case "article": setname = publis.findNameFromSet(value, true) return setname === null ? value.toString() : setname break; @@ -288,8 +288,8 @@ draft: false break; case "basis": return data.method.basis - case "DOI": - return data.DOI === null ? "" : data.DOI + case "article": + return data.article === null ? "" : data.article default: return data[name] break; @@ -305,8 +305,8 @@ draft: false var sdatdic = new Map() for (const d of window.filtData) { const key = JSON.stringify(d.method) - const doi = (d.DOI == null ? "" : d.DOI) - const SetName = publis.findSetNameFromDOI(doi,true) + const article = (d.article == null ? "" : d.article) + const SetName = publis.findSetNameFromArticle(article,true) if (!(sdatdic.has(key))) { sdatdic.set(key, new Map()) } @@ -422,15 +422,15 @@ draft: false }) }) window.T1ref = new Map() - var dois = new Set(window.filtData.map((d) => d.DOI === null ? "" : d.DOI)) + var articles = new Set(window.filtData.map((d) => d.article === null ? "" : d.article)) var mols = new Set(window.filtData.map((d) => d.molecule)) - await window.doiCache.addRange(dois) - for (const doi of dois) { - const setName = publis.findSetNameFromDOI(doi,true) + await window.doiCache.tryAddRange(articles) + for (const article of articles) { + const setName = publis.findSetNameFromArticle(article,true) window.T1ref.set(setName, new Map()) for (const mol of mols) { window.T1ref.get(setName).set(mol, new Map()) - var TBESortdat = window.dats.filter(d => (d.DOI === null ? "" : d.DOI) === doi && d.molecule === mol).sort((d1, d2) => { + var TBESortdat = window.dats.filter(d => (d.article === null ? "" : d.article) === article && d.molecule === mol).sort((d1, d2) => { if (d1.method.isTBE && !d2.method.isTBE) { return -1 } else if (!d1.method.isTBE && d2.method.isTBE) { @@ -454,7 +454,7 @@ draft: false } } $(sel_ref).empty() - for (const el of uniq(window.filtData.map(d => [d.method, (d.DOI === null ? null : d.DOI)]))) { + for (const el of uniq(window.filtData.map(d => [d.method, (d.article === null ? null : d.article)]))) { op = $("