Emmanuel Giner
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b056ceadc6
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updated atomization energies
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2019-03-31 19:10:04 +02:00 |
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Emmanuel Giner
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98ba6ac4d0
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updated atomization energies
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2019-03-31 19:02:01 +02:00 |
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Emmanuel Giner
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b6c7fc0e52
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added all new fresh clean data with the QP for G2 Klopper
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2019-03-27 10:56:27 +01:00 |
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Emmanuel Giner
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4df2a3942f
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updated qp_create_ezfio_from_g09_zmat
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2019-03-26 14:26:07 +01:00 |
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Emmanuel Giner
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bf63ae8528
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added the g09_zmat_to_qp_create.py
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2019-03-26 14:03:27 +01:00 |
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6583b8441d
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VDZ and VTZ
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2019-03-26 11:00:25 +01:00 |
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c0668b109b
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g09 output files
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2019-03-26 09:43:37 +01:00 |
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e03d3c15ab
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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b487bbebac
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RO
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2019-03-25 23:26:29 +01:00 |
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fb8af9da5a
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create_ezfio.sh
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2019-03-25 23:18:37 +01:00 |
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54ec812690
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g09 files
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2019-03-25 22:47:41 +01:00 |
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0ae081b20b
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g09 input
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2019-03-25 22:30:19 +01:00 |
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Emmanuel Giner
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4eed464af9
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added atoms
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2019-03-25 22:17:20 +01:00 |
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Emmanuel Giner
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c9621a639f
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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