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QuantumPackage/data/basis
History
Anthony Scemama 4f332ee494
Fixed 6-31G and quickstart (#65) 
* Fixed 6-31 basis sets

* Bug in quickstart
2019-10-01 10:38:29 +02:00
..
3-21++g
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4-31g
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5zp
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6-31++g
Fixed 6-31G and quickstart (#65)
2019-10-01 10:38:29 +02:00
6-31++g_star
Initial commit
2019-01-25 11:39:31 +01:00
6-31++g_star_star
Fixed 6-31G and quickstart (#65)
2019-10-01 10:38:29 +02:00
6-31+g
Initial commit
2019-01-25 11:39:31 +01:00
6-31+g_star
Fixed 6-31G and quickstart (#65)
2019-10-01 10:38:29 +02:00
6-31g
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6-31g_3df_3pd
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6-31g_star
Fixed 6-31G and quickstart (#65)
2019-10-01 10:38:29 +02:00
6-31g_star_star
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6-31g_star-Blaudeau
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6-31g-Blaudeau
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6-311++g_2d_2p
Fixed 6-31G and quickstart (#65)
2019-10-01 10:38:29 +02:00
6-311++g_3df_3pd
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6-311++g_star_star
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6-311+g_star
Fixed 6-31G and quickstart (#65)
2019-10-01 10:38:29 +02:00
6-311g
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6-311g_2df_2pd
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6-311G_star
Fixed 6-31G and quickstart (#65)
2019-10-01 10:38:29 +02:00
6-311G_star_star
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2019-01-25 11:39:31 +01:00
6zp
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00_README.rst
NCSU ECP and Basis set (#41)
2019-05-24 16:19:34 -05:00
ano2_ames
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ano_ames
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ano_bauschlicher
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aug-cc-pv5z_ecp_bfd
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aug-cc-pv5z_ecp_ncsu
NCSU ECP and Basis set (#41)
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aug-cc-pv5z-pp
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aug-cc-pvdz_ecp_bfd
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aug-cc-pvdz_ecp_ncsu
NCSU ECP and Basis set (#41)
2019-05-24 16:19:34 -05:00
aug-cc-pvdz-pp
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aug-cc-pvqz
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aug-cc-pvqz_ecp_bfd
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aug-cc-pvqz_ecp_ncsu
NCSU ECP and Basis set (#41)
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aug-cc-pvqz_sbd
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aug-cc-pvtz_ecp_bfd
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aug-cc-pvtz_ecp_ncsu
NCSU ECP and Basis set (#41)
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aug-cc-pvtz_sbd
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cc-pcv5z
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cc-pcv5z0
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cc-pcv5z_ames
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cc-pcvqz_ames
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cc-pcvtz_ames
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cc-pv5z_ames
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cc-pv5z_ecp_bfd
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cc-pv5z_ecp_ncsu
Fix small format issue in ECP
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cc-pv5z-nr
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cc-pv5z-pp
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cc-pv_t+d_z+
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cc-pvdz_ecp_bfd
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cc-pvdz_ecp_ncsu
Merge branch 'Fix_Bug_ECP' of https://github.com/anbenali/qp2 into anbenali-Fix_Bug_ECP
2019-06-08 15:52:33 +02:00
cc-pvdz-pp
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cc-pvqz_ames
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cc-pvqz_ecp_bfd
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cc-pvqz_ecp_ncsu
Merge branch 'Fix_Bug_ECP' of https://github.com/anbenali/qp2 into anbenali-Fix_Bug_ECP
2019-06-08 15:52:33 +02:00
cc-pvqz_sdb
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cc-pvtz_ames
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cc-pvtz_ecp_bfd
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cc-pvtz_ecp_ncsu
Merge branch 'Fix_Bug_ECP' of https://github.com/anbenali/qp2 into anbenali-Fix_Bug_ECP
2019-06-08 15:52:33 +02:00
cc-pvtz_sdb
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chipman-dzp+diffuse
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wachters+f
Initial commit
2019-01-25 11:39:31 +01:00