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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-14 18:13:51 +01:00
QuantumPackage/data/basis
Anouar Benali f133cb1e9f NCSU ECP and Basis set (#41)
* Adding Basis Sets and ECP from NCSU. When available He core ECP are chosen instead of large core. This applies to Na Mg Al Si P S Cl and Ar

*  ECP from ncsu

* Update Readme file with description of Basis Set
2019-05-28 15:39:09 +02:00
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00_README.rst NCSU ECP and Basis set (#41) 2019-05-28 15:39:09 +02:00
ano2_ames Initial commit 2019-01-25 11:39:31 +01:00
ano_ames Initial commit 2019-01-25 11:39:31 +01:00
ano_bauschlicher Initial commit 2019-01-25 11:39:31 +01:00
ano-pvdz_ecp_bfd Initial commit 2019-01-25 11:39:31 +01:00
ano-pvqz_ecp_bfd Initial commit 2019-01-25 11:39:31 +01:00
ano-pvtz_ecp_bfd Initial commit 2019-01-25 11:39:31 +01:00
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apr-cc-pv_q+d_z Initial commit 2019-01-25 11:39:31 +01:00
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aug-ano-pvdz_roos Initial commit 2019-01-25 11:39:31 +01:00
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aug-cc-pv5z_ecp_bfd Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pv5z_ecp_ncsu NCSU ECP and Basis set (#41) 2019-05-28 15:39:09 +02:00
aug-cc-pv5z-pp Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pv6z Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pv_5+d_z Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pv_6+d_z Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pv_d+d_z Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pv_q+d_z Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pv_t+d_z Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pvdz Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pvdz_ecp_bfd Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pvdz_ecp_ncsu NCSU ECP and Basis set (#41) 2019-05-28 15:39:09 +02:00
aug-cc-pvdz-pp Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pvqz Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pvqz_ecp_bfd Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pvqz_ecp_ncsu NCSU ECP and Basis set (#41) 2019-05-28 15:39:09 +02:00
aug-cc-pvqz_sbd Initial commit 2019-01-25 11:39:31 +01:00
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aug-cc-pvtz_ecp_bfd Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pvtz_ecp_ncsu NCSU ECP and Basis set (#41) 2019-05-28 15:39:09 +02:00
aug-cc-pvtz_sbd Initial commit 2019-01-25 11:39:31 +01:00
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cc-pv5z_ecp_bfd Initial commit 2019-01-25 11:39:31 +01:00
cc-pv5z_ecp_ncsu NCSU ECP and Basis set (#41) 2019-05-28 15:39:09 +02:00
cc-pv5z-nr Initial commit 2019-01-25 11:39:31 +01:00
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cc-pv_q+d_z Initial commit 2019-01-25 11:39:31 +01:00
cc-pv_t+d_z Initial commit 2019-01-25 11:39:31 +01:00
cc-pv_t+d_z+ Initial commit 2019-01-25 11:39:31 +01:00
cc-pvdz Initial commit 2019-01-25 11:39:31 +01:00
cc-pvdz_ecp_bfd Initial commit 2019-01-25 11:39:31 +01:00
cc-pvdz_ecp_ncsu NCSU ECP and Basis set (#41) 2019-05-28 15:39:09 +02:00
cc-pvdz-pp Initial commit 2019-01-25 11:39:31 +01:00
cc-pvqz Initial commit 2019-01-25 11:39:31 +01:00
cc-pvqz_ames Initial commit 2019-01-25 11:39:31 +01:00
cc-pvqz_ecp_bfd Initial commit 2019-01-25 11:39:31 +01:00
cc-pvqz_ecp_ncsu NCSU ECP and Basis set (#41) 2019-05-28 15:39:09 +02:00
cc-pvqz_sdb Initial commit 2019-01-25 11:39:31 +01:00
cc-pvqz-nr Initial commit 2019-01-25 11:39:31 +01:00
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cc-pvtz_ecp_bfd Initial commit 2019-01-25 11:39:31 +01:00
cc-pvtz_ecp_ncsu NCSU ECP and Basis set (#41) 2019-05-28 15:39:09 +02:00
cc-pvtz_sdb Initial commit 2019-01-25 11:39:31 +01:00
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pv6z Initial commit 2019-01-25 11:39:31 +01:00
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