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Code Releases Activity
qp2/data/basis
History
Anthony Scemama 9f6cedde85 Fixed 6-31 basis sets
2019-09-26 11:00:31 +02:00
..
3-21++g
Initial commit
2019-01-25 11:39:31 +01:00
3-21++g_star
Initial commit
2019-01-25 11:39:31 +01:00
3-21g
Initial commit
2019-01-25 11:39:31 +01:00
3-21g_star
Initial commit
2019-01-25 11:39:31 +01:00
3-21gsp
Initial commit
2019-01-25 11:39:31 +01:00
4-22gsp
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2019-01-25 11:39:31 +01:00
4-31g
Initial commit
2019-01-25 11:39:31 +01:00
5zp
Initial commit
2019-01-25 11:39:31 +01:00
6-31++g
Fixed 6-31 basis sets
2019-09-26 11:00:31 +02:00
6-31++g_star
Initial commit
2019-01-25 11:39:31 +01:00
6-31++g_star_star
Fixed 6-31 basis sets
2019-09-26 11:00:31 +02:00
6-31+g
Initial commit
2019-01-25 11:39:31 +01:00
6-31+g_star
Fixed 6-31 basis sets
2019-09-26 11:00:31 +02:00
6-31g
Initial commit
2019-01-25 11:39:31 +01:00
6-31g_3df_3pd
Initial commit
2019-01-25 11:39:31 +01:00
6-31g_star
Fixed 6-31 basis sets
2019-09-26 11:00:31 +02:00
6-31g_star_star
Initial commit
2019-01-25 11:39:31 +01:00
6-31g_star-Blaudeau
Initial commit
2019-01-25 11:39:31 +01:00
6-31g-Blaudeau
Initial commit
2019-01-25 11:39:31 +01:00
6-311++g_2d_2p
Fixed 6-31 basis sets
2019-09-26 11:00:31 +02:00
6-311++g_3df_3pd
Initial commit
2019-01-25 11:39:31 +01:00
6-311++g_star_star
Initial commit
2019-01-25 11:39:31 +01:00
6-311+g_star
Fixed 6-31 basis sets
2019-09-26 11:00:31 +02:00
6-311g
Initial commit
2019-01-25 11:39:31 +01:00
6-311g_2df_2pd
Initial commit
2019-01-25 11:39:31 +01:00
6-311G_star
Fixed 6-31 basis sets
2019-09-26 11:00:31 +02:00
6-311G_star_star
Initial commit
2019-01-25 11:39:31 +01:00
6zp
Initial commit
2019-01-25 11:39:31 +01:00
00_README.rst
NCSU ECP and Basis set (#41)
2019-05-24 16:19:34 -05:00
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
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2019-01-25 11:39:31 +01:00
ano-pvqz_ecp_bfd
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2019-01-25 11:39:31 +01:00
ano-pvtz_ecp_bfd
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2019-01-25 11:39:31 +01:00
ano-rcc
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2019-01-25 11:39:31 +01:00
apr-cc-pv_q+d_z
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2019-01-25 11:39:31 +01:00
aug-5zp
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aug-ano-pvdz_roos
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aug-ano-pvtz_roos
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aug-cc-pcv5z
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aug-cc-pcv_t+d_z
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aug-cc-pcvdz
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2019-01-25 11:39:31 +01:00
aug-cc-pcvqz
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2019-01-25 11:39:31 +01:00
aug-cc-pcvtz
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2019-01-25 11:39:31 +01:00
aug-cc-pv5z
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2019-01-25 11:39:31 +01:00
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)
2019-05-24 16:19:34 -05:00
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
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2019-01-25 11:39:31 +01:00
aug-cc-pv_d+d_z
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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
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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)
2019-05-24 16:19:34 -05:00
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)
2019-05-24 16:19:34 -05:00
aug-cc-pvqz_sbd
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pvqz-nr
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pvqz-pp
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2019-01-25 11:39:31 +01:00
aug-cc-pvtz
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2019-01-25 11:39:31 +01:00
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)
2019-05-24 16:19:34 -05:00
aug-cc-pvtz_sbd
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pvtz-nr
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pvtz-pp
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aug-cc-pwcv5z
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aug-cc-pwcv5z-nr
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aug-cc-pwcvdz
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aug-cc-pwcvqz
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aug-cc-pwcvqz-nr
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aug-cc-pwcvtz
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2019-01-25 11:39:31 +01:00
aug-cc-pwcvtz-nr
Initial commit
2019-01-25 11:39:31 +01:00
aug-dzp
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2019-01-25 11:39:31 +01:00
aug-pc-0
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aug-pc-1
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aug-pc-2
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aug-pc-3
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aug-pc-4
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aug-pcj-0
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aug-pcj-0_2006
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aug-pcj-1
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aug-pcj-1_2006
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aug-pcj-2
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aug-pcj-2_2006
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aug-pcj-3
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aug-pcj-3_2006
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aug-pcj-4
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aug-pcj-4_2006
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2019-01-25 11:39:31 +01:00
aug-pcs-2
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aug-pcs-3
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aug-pcs-4
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aug-pcS-0
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aug-pcS-1
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2019-01-25 11:39:31 +01:00
aug-pcseg-0
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2019-01-25 11:39:31 +01:00
aug-pcseg-1
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2019-01-25 11:39:31 +01:00
aug-pcseg-2
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aug-pcseg-3
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2019-01-25 11:39:31 +01:00
aug-pcseg-4
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aug-pcsseg-0
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aug-pcsseg-1
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aug-pcsseg-2
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aug-pcsseg-3
Initial commit
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aug-pcsseg-4
Initial commit
2019-01-25 11:39:31 +01:00
aug-pv7z
Initial commit
2019-01-25 11:39:31 +01:00
aug-qzp
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2019-01-25 11:39:31 +01:00
aug-tzp
Initial commit
2019-01-25 11:39:31 +01:00
cc-pcv5z
Initial commit
2019-01-25 11:39:31 +01:00
cc-pcv5z0
Initial commit
2019-01-25 11:39:31 +01:00
cc-pcv5z_ames
Initial commit
2019-01-25 11:39:31 +01:00
cc-pcv6z
Initial commit
2019-01-25 11:39:31 +01:00
cc-pcvdz
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2019-01-25 11:39:31 +01:00
cc-pcvqz
Initial commit
2019-01-25 11:39:31 +01:00
cc-pcvqz_ames
Initial commit
2019-01-25 11:39:31 +01:00
cc-pcvtz
Initial commit
2019-01-25 11:39:31 +01:00
cc-pcvtz_ames
Initial commit
2019-01-25 11:39:31 +01:00
cc-pv5z
Initial commit
2019-01-25 11:39:31 +01:00
cc-pv5z_ames
Initial commit
2019-01-25 11:39:31 +01:00
cc-pv5z_ecp_bfd
Initial commit
2019-01-25 11:39:31 +01:00
cc-pv5z_ecp_ncsu
Fix small format issue in ECP
2019-05-29 12:03:06 -05:00
cc-pv5z-nr
Initial commit
2019-01-25 11:39:31 +01:00
cc-pv5z-pp
Initial commit
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cc-pv6z
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cc-pv8z
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cc-pv9z
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cc-pv_5+d_z
Initial commit
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cc-pv_6+d_z
Initial commit
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cc-pv_d+d_z
Initial commit
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cc-pv_q+d_z
Initial commit
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cc-pv_t+d_z
Initial commit
2019-01-25 11:39:31 +01:00
cc-pv_t+d_z+
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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
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
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
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
Initial commit
2019-01-25 11:39:31 +01:00
cc-pvqz-nr
Initial commit
2019-01-25 11:39:31 +01:00
cc-pvqz-pp
Initial commit
2019-01-25 11:39:31 +01:00
cc-pvtz
Initial commit
2019-01-25 11:39:31 +01:00
cc-pvtz_ames
Initial commit
2019-01-25 11:39:31 +01:00
cc-pvtz_ecp_bfd
Initial commit
2019-01-25 11:39:31 +01:00
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
Initial commit
2019-01-25 11:39:31 +01:00
cc-pvtz-nr
Initial commit
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cc-pvtz-pp
Initial commit
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cc-pvtz+
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cc-pwcv5z
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cc-pwcv5z-nr
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cc-pwcv5z-pp
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cc-pwcvdz
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cc-pwcvdz-pp
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cc-pwcvqz
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cc-pwcvqz-nr
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cc-pwcvqz-pp
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cc-pwcvtz
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cc-pwcvtz-nr
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chipman-dzp
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chipman-dzp+diffuse
Initial commit
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d-aug-cc-pv5z
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d-aug-cc-pv6z
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d-aug-cc-pvdz
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d-aug-cc-pvqz
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d-aug-cc-pvtz
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def2-qzvp
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def2-qzvpd
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def2-qzvpp
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def2-qzvppd
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def2-sv_p
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def2-svp
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def2-svpd
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def2-tzvp
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def2-tzvpd
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def2-tzvpp
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def2-tzvppd
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dunning_tz
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dz_dunning
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dz_dunning-hay
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dzp
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dzp_dunning
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dzpd_dunning
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dzpr_dunning
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dzq
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dzr_dunning
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dzvp
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dzvp2
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ecp10mdf
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ecp60mdf
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iglo-ii
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iglo-iii
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jul-cc-pv_d+d_z
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jul-cc-pv_q+d_z
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jul-cc-pv_t+d_z
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jun-cc-pv_d+d_z
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jun-cc-pv_q+d_z
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jun-cc-pv_t+d_z
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lanl2dz_ecp
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lanl2dz_mod
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lanl2dzdp_ecp
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lanl2tz
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lanl2tz+
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lanl2tzf
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lanl08
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lanl08+
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lanl08d
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lanl08f
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m6-31g
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maug-cc-pv_d+d_z
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maug-cc-pv_q+d_z
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maug-cc-pv_t+d_z
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maug-cc-pvdz
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maug-cc-pvqz
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maug-cc-pvtz
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may-cc-pv_q+d_z
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may-cc-pv_t+d_z
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mb_ecp_hay-wadt
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mg3s
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midi_bang
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midi_huzinaga
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mini
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mini_huzinaga
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pv6z
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pv7z
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pvdz_ahlrichs
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pvtz_gamess
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pvtz_sadlej
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qzp
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rlc_ecp_stuttgart
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rsc_ano_ecp_stuttgart
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rsc_ecp_stuttgart
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sbkjc_p_2d
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sto-2g
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sto-3g
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sto-3g_star
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sto-6g_star
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sv_binning-curtiss
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sv_dunning-hay
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svp_binning-curtiss
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svp_dunning-hay
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svpd_dunning-hay
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svpdr
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svpr_dunning-hay
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svr_dunning-hay
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svrr_dunning-hay
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tzp
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tzv_ahlrichs
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tzvp
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ugbs
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uncontracted_1_partridge
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uncontracted_2_partridge
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uncontracted_3_partridge
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uncontracted_4_partridge
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vdz_ahlrichs
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vdz_ecp_hay-wadt
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vdz_sbkjc_ecp
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vtz_ahlrichs
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vtz_binning-curtiss
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vtz_gamess
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vtz_mclean-chandler
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vtzp_binning-curtiss
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wachters+f
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