| .. |
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acetylene_ADC(2)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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acetylene_ADC(3)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC2_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3_aug-cc-pVDZ.dat
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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acetylene_CC3_aug-cc-pVTZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3(FC)_aug-cc-pVDZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3(FC)_aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3(FC)_aug-cc-pVTZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3(FC)_d-aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3(Full)_aug-cc-pV5Z.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3(Full)_aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3(Full)_d-aug-cc-pV5Z.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3(Full)_d-aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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acetylene_CCSD_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CCSDR(3)_aug-cc-pVTZ.dat
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Fix filenames in fluo
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2020-02-03 17:47:19 +01:00 |
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acetylene_CCSDT_aug-cc-pVDZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CCSDT_aug-cc-pVTZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CCSDT-3_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CCSDTQ_aug-cc-pVDZ.dat
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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acetylene_CCSDTQ_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CIS(D)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CIS(D∞)_aug-cc-pVTZ.dat
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Fix infinity doublon
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2020-02-27 12:11:00 +01:00 |
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acetylene_exFCI_aug-cc-pVDZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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acetylene_exFCI_aug-cc-pVTZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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acetylene_STEOM-CCSD_aug-cc-pVTZ.dat
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Fix filenames in fluo
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2020-02-03 17:47:19 +01:00 |
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acetylene_TBE_CBS.dat
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Fix filenames in fluo
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2020-02-03 17:47:19 +01:00 |
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acetylene_TBE(FC)_aug-cc-pVTZ.dat
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Fix doublon
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2020-02-27 15:14:42 +01:00 |
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cyanoacetylene_ADC(2)_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_CC2_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_CC3_6-31+G(d).dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_CC3_aug-cc-pVDZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_CC3_aug-cc-pVQZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_CC3_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_CC3(FC)_6-31+G(d).dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_CC3(FC)_aug-cc-pVDZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_CC3(FC)_aug-cc-pVQZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_CC3(FC)_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_CC3(Full)_aug-cc-pVQZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_CCSD_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_CCSDR(3)_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_CCSDT_6-31+G(d).dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_CCSDT_aug-cc-pVDZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_CCSDT_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_CCSDT-3_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_CCSDTQ_6-31+G(d).dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_CCSDTQ_aug-cc-pVDZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_CIS(D)_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_FCI_6-31+G(d).dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_FCI_aug-cc-pVDZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_NEVPT2_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_STEOM-CCSD_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_TBE_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_TBE.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanoacetylene_TBE(FC).dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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cyanogen_ADC(2)_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CASPT2(8,8)_aug-cc-pVDZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CASPT2(8,8)_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CC2_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CC3_6-31+G(d).dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_CC3_aug-cc-pV5Z.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_CC3_aug-cc-pVDZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_CC3_aug-cc-pVQZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_CC3_aug-cc-pVTZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_CC3(FC)_6-31+G(d).dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CC3(FC)_aug-cc-pV5Z.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CC3(FC)_aug-cc-pVDZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CC3(FC)_aug-cc-pVQZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CC3(FC)_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CC3(FC)_d-aug-cc-pVQZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CC3(Full)_aug-cc-pVQZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CC3(Full)_d-aug-cc-pVQZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CCSD_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CCSDR(3)_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CCSDT_6-31+G(d).dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_CCSDT_aug-cc-pVDZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_CCSDT_aug-cc-pVTZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_CCSDT-3_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CCSDTQ_6-31+G(d).dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_CCSDTQ_aug-cc-pVDZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_CIS(D)_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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cyanogen_FCI_6-31+G(d).dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_FCI_aug-cc-pVDZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_NEVPT2_aug-cc-pVTZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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cyanogen_PC-NEVPT2(8,8)_aug-cc-pVDZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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cyanogen_PC-NEVPT2(8,8)_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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cyanogen_SC-NEVPT2(8,8)_aug-cc-pVDZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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cyanogen_SC-NEVPT2(8,8)_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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cyanogen_STEOM-CCSD_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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cyanogen_TBE_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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cyanogen_TBE.dat
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Add DOI for TBE
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2020-02-17 11:34:19 +01:00 |
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cyanogen_TBE(FC).dat
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Add DOI for TBE
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2020-02-17 11:34:19 +01:00 |
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diazomethane_ADC(2)_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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diazomethane_ADC(3)_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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diazomethane_CC2_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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diazomethane_CC3_aug-cc-pVDZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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diazomethane_CC3_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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diazomethane_CC3(FC)_aug-cc-pVDZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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diazomethane_CC3(FC)_aug-cc-pVQZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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diazomethane_CC3(FC)_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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diazomethane_CC3(Full)_aug-cc-pVQZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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diazomethane_CC3(Full)_d-aug-cc-pVQZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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diazomethane_CCSD_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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diazomethane_CCSDR(3)_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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diazomethane_CCSDT_aug-cc-pVDZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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diazomethane_CCSDT_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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diazomethane_CCSDT-3_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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diazomethane_CIS(D)_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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diazomethane_CIS(D∞)_aug-cc-pVTZ.dat
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Fix infinity doublon
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2020-02-27 12:11:00 +01:00 |
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diazomethane_exFCI_aug-cc-pVDZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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diazomethane_exFCI_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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diazomethane_STEOM-CCSD_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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diazomethane_TBE_CBS.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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diazomethane_TBE(FC)_aug-cc-pVTZ.dat
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Fix doublon
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2020-02-27 15:14:42 +01:00 |
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formaldehyde_ADC(2)_aug-cc-pVTZ.dat
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Fix formaldehyde
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2020-02-20 11:03:14 +01:00 |
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formaldehyde_ADC(3)_aug-cc-pVTZ.dat
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Fix formaldehyde
|
2020-02-20 11:03:14 +01:00 |
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formaldehyde_CC2_aug-cc-pVTZ.dat
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Fix formaldehyde
|
2020-02-20 11:03:14 +01:00 |
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formaldehyde_CC3_aug-cc-pVDZ.dat
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Fix formaldehyde
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2020-02-20 11:03:14 +01:00 |
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formaldehyde_CC3_aug-cc-pVTZ.dat
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Fix formaldehyde
|
2020-02-20 11:03:14 +01:00 |
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formaldehyde_CC3(FC)_aug-cc-pVDZ.dat
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Fix formaldehyde
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2020-02-20 11:03:14 +01:00 |
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formaldehyde_CC3(FC)_aug-cc-pVQZ.dat
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Fix formaldehyde
|
2020-02-20 11:03:14 +01:00 |
|
formaldehyde_CC3(FC)_aug-cc-pVTZ.dat
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Fix formaldehyde
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2020-02-20 11:03:14 +01:00 |
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formaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat
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Fix formaldehyde
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2020-02-20 11:03:14 +01:00 |
|
formaldehyde_CC3(Full)_aug-cc-pV5Z.dat
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Fix formaldehyde
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2020-02-20 11:03:14 +01:00 |
|
formaldehyde_CC3(Full)_aug-cc-pVQZ.dat
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Fix formaldehyde
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2020-02-20 11:03:14 +01:00 |
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formaldehyde_CC3(Full)_d-aug-cc-pV5Z.dat
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Fix formaldehyde
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2020-02-20 11:03:14 +01:00 |
|
formaldehyde_CC3(Full)_d-aug-cc-pVQZ.dat
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Fix formaldehyde
|
2020-02-20 11:03:14 +01:00 |
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formaldehyde_CCSD_aug-cc-pVTZ.dat
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Fix formaldehyde
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2020-02-20 11:03:14 +01:00 |
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formaldehyde_CCSDR(3)_aug-cc-pVTZ.dat
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Fix formaldehyde
|
2020-02-20 11:03:14 +01:00 |
|
formaldehyde_CCSDT_aug-cc-pVDZ.dat
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Fix formaldehyde
|
2020-02-20 11:03:14 +01:00 |
|
formaldehyde_CCSDT_aug-cc-pVTZ.dat
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Fix formaldehyde
|
2020-02-20 11:03:14 +01:00 |
|
formaldehyde_CCSDT-3_aug-cc-pVTZ.dat
|
Fix formaldehyde
|
2020-02-20 11:03:14 +01:00 |
|
formaldehyde_CCSDTQ_aug-cc-pVDZ.dat
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Fix formaldehyde
|
2020-02-20 11:03:14 +01:00 |
|
formaldehyde_CCSDTQ_aug-cc-pVTZ.dat
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Fix formaldehyde
|
2020-02-20 11:03:14 +01:00 |
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formaldehyde_CIS(D)_aug-cc-pVTZ.dat
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Fix formaldehyde
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2020-02-20 11:03:14 +01:00 |
|
formaldehyde_CIS(D∞)_aug-cc-pVTZ.dat
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Fix formaldehyde
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2020-02-20 11:03:14 +01:00 |
|
formaldehyde_exFCI_aug-cc-pVDZ.dat
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Fix formaldehyde
|
2020-02-20 11:03:14 +01:00 |
|
formaldehyde_exFCI_aug-cc-pVTZ.dat
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Fix formaldehyde
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2020-02-20 11:03:14 +01:00 |
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formaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat
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Fix formaldehyde
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2020-02-20 11:03:14 +01:00 |
|
formaldehyde_TBE_CBS.dat
|
Fix formaldehyde
|
2020-02-20 11:03:14 +01:00 |
|
formaldehyde_TBE(FC)_aug-cc-pVTZ.dat
|
Fix formaldehyde
|
2020-02-20 11:03:14 +01:00 |
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ketene_ADC(2)_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
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ketene_ADC(3)_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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ketene_CC2_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
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ketene_CC3_aug-cc-pVDZ.dat
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Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
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ketene_CC3_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
ketene_CC3(FC)_aug-cc-pVDZ.dat
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Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
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ketene_CC3(FC)_aug-cc-pVQZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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ketene_CC3(FC)_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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ketene_CC3(Full)_aug-cc-pVQZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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ketene_CC3(Full)_d-aug-cc-pVQZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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ketene_CCSD_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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ketene_CCSDR(3)_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
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ketene_CCSDT_aug-cc-pVDZ.dat
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Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
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ketene_CCSDT_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
ketene_CCSDT-3_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
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ketene_CIS(D)_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
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ketene_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix infinity doublon
|
2020-02-27 12:11:00 +01:00 |
|
ketene_exFCI_aug-cc-pVDZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
ketene_exFCI_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
ketene_STEOM-CCSD_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
ketene_TBE_CBS.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
ketene_TBE(FC)_aug-cc-pVTZ.dat
|
Fix doublon
|
2020-02-27 15:14:42 +01:00 |
|
nitrosomethane_ADC(2)_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
nitrosomethane_ADC(3)_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
nitrosomethane_CC2_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
nitrosomethane_CC3_aug-cc-pVDZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
nitrosomethane_CC3_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
nitrosomethane_CC3(FC)_aug-cc-pVDZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
nitrosomethane_CC3(FC)_aug-cc-pVQZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
nitrosomethane_CC3(FC)_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
nitrosomethane_CC3(Full)_aug-cc-pVQZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
nitrosomethane_CCSD_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
nitrosomethane_CCSDR(3)_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
nitrosomethane_CCSDT_aug-cc-pVDZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
nitrosomethane_CCSDT_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
nitrosomethane_CCSDT-3_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
nitrosomethane_CIS(D)_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
nitrosomethane_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix infinity doublon
|
2020-02-27 12:11:00 +01:00 |
|
nitrosomethane_exFCI_aug-cc-pVDZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
nitrosomethane_exFCI_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
nitrosomethane_STEOM-CCSD_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
nitrosomethane_TBE_CBS.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
nitrosomethane_TBE(FC)_aug-cc-pVTZ.dat
|
Fix doublon
|
2020-02-27 15:14:42 +01:00 |
|
thioformaldehyde_ADC(2)_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_ADC(3)_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_CC2_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_CC3_aug-cc-pVDZ.dat
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
thioformaldehyde_CC3_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_CC3(FC)_aug-cc-pVDZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_CC3(FC)_aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_CC3(FC)_aug-cc-pVTZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_CC3(Full)_aug-cc-pV5Z.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_CC3(Full)_aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_CC3(Full)_d-aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_CCSD_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix filenames in fluo
|
2020-02-03 17:47:19 +01:00 |
|
thioformaldehyde_CCSDT_aug-cc-pVDZ.dat
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
thioformaldehyde_CCSDT_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_CCSDT-3_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_CCSDTQ_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_CCSDTQ_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_CIS(D)_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix infinity doublon
|
2020-02-27 12:11:00 +01:00 |
|
thioformaldehyde_exFCI_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_exFCI_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix filenames in fluo
|
2020-02-03 17:47:19 +01:00 |
|
thioformaldehyde_TBE_CBS.dat
|
Fix filenames in fluo
|
2020-02-03 17:47:19 +01:00 |
|
thioformaldehyde_TBE(FC)_aug-cc-pVTZ.dat
|
Fix doublon
|
2020-02-27 15:14:42 +01:00 |
