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00_README.rst
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Merge branch 'master' into features_emsl
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2020-02-12 14:01:42 -06:00 |
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2zapa-nr
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Added ZaPa-NR basis sets
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2020-06-05 17:04:01 +02:00 |
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2zapa-nr-cv
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Added ZaPa-NR basis sets
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2020-06-05 17:04:01 +02:00 |
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3-21g
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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3zapa-nr
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Added ZaPa-NR basis sets
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2020-06-05 17:04:01 +02:00 |
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3zapa-nr-cv
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Added ZaPa-NR basis sets
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2020-06-05 17:04:01 +02:00 |
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4-31g
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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4zapa-nr
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Added ZaPa-NR basis sets
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2020-06-05 17:04:01 +02:00 |
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4zapa-nr-cv
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Added ZaPa-NR basis sets
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2020-06-05 17:04:01 +02:00 |
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5zapa-nr
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Added ZaPa-NR basis sets
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2020-06-05 17:04:01 +02:00 |
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5zapa-nr-cv
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Added ZaPa-NR basis sets
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2020-06-05 17:04:01 +02:00 |
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6-31++g
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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6-31++g_star
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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6-31++g_star_star
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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6-31+g
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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6-31+g_star
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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6-31g
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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6-31g_3df_3pd
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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6-31g_star
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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6-31g_star_star
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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6-311++g_2d_2p
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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6-311++g_3df_3pd
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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6-311++g_star_star
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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6-311+g_star
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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6-311G_star
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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6-311G_star_star
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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6-311g
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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6-311g_2df_2pd
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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6zapa-nr
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Added ZaPa-NR basis sets
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2020-06-05 17:04:01 +02:00 |
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7zapa-nr
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Added ZaPa-NR basis sets
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2020-06-05 17:04:01 +02:00 |
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ano-pvdz_ecp_bfd
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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ano-pvqz_ecp_bfd
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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ano-pvtz_ecp_bfd
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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ano-rcc
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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ano2_ames
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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ano_ames
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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apr-cc-pv_q+d_z
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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aug-ano-pvdz_roos
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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aug-ano-pvtz_roos
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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aug-cc-pcv5z
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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aug-cc-pcv5z_ecp_ccecp
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Added hydrogen in ccECP
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2020-05-11 10:21:01 +02:00 |
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aug-cc-pcvdz
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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aug-cc-pcvdz_ecp_ccecp
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Added hydrogen in ccECP
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2020-05-11 10:21:01 +02:00 |
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aug-cc-pcvqz
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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aug-cc-pcvqz_ecp_ccecp
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Added hydrogen in ccECP
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2020-05-11 10:21:01 +02:00 |
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aug-cc-pcvtz
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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aug-cc-pcvtz_ecp_ccecp
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Added hydrogen in ccECP
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2020-05-11 10:21:01 +02:00 |
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aug-cc-pv5z
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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aug-cc-pv5z_ecp_bfd
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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aug-cc-pv5z_ecp_ccecp
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Added missing atoms to ccECP basis
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2020-05-11 11:26:42 +02:00 |
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aug-cc-pv6z
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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aug-cc-pvdz
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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aug-cc-pvdz_ecp_bfd
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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aug-cc-pvdz_ecp_ccecp
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Added missing atoms to ccECP basis
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2020-05-11 11:26:42 +02:00 |
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aug-cc-pvqz
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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aug-cc-pvqz_ecp_bfd
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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aug-cc-pvqz_ecp_ccecp
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Added missing atoms to ccECP basis
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2020-05-11 11:26:42 +02:00 |
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aug-cc-pvtz
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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aug-cc-pvtz_ecp_bfd
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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aug-cc-pvtz_ecp_ccecp
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Added missing atoms to ccECP basis
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2020-05-11 11:26:42 +02:00 |
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aug-cc-pwcv5z
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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aug-cc-pwcvdz
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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aug-cc-pwcvqz
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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aug-cc-pwcvtz
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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cc-pcv5z
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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cc-pcv5z_ecp_ccecp
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Added hydrogen in ccECP
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2020-05-11 10:21:01 +02:00 |
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cc-pcvdz
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Added copper to cc-pcvdz
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2023-02-06 13:49:10 +01:00 |
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cc-pcvdz_ecp_ccecp
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Added hydrogen in ccECP
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2020-05-11 10:21:01 +02:00 |
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cc-pcvqz
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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cc-pcvqz_ecp_ccecp
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Added hydrogen in ccECP
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2020-05-11 10:21:01 +02:00 |
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cc-pcvtz
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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cc-pcvtz_ecp_ccecp
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Added hydrogen in ccECP
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2020-05-11 10:21:01 +02:00 |
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cc-pv5z
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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cc-pv5z_ecp_bfd
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Fix 5z_bfd basis
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2023-09-25 14:17:00 +02:00 |
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cc-pv5z_ecp_ccecp
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Added missing atoms to ccECP basis
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2020-05-11 11:26:42 +02:00 |
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cc-pv6z
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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cc-pv8z
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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cc-pv9z
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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cc-pvdz
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Added basis module for easy export
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2021-05-21 18:26:50 +02:00 |
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cc-pvdz_ecp_bfd
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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cc-pvdz_ecp_ccecp
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Added missing atoms to ccECP basis
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2020-05-11 11:26:42 +02:00 |
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cc-pvqz
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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cc-pvqz_ecp_bfd
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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cc-pvqz_ecp_ccecp
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Added missing atoms to ccECP basis
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2020-05-11 11:26:42 +02:00 |
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cc-pvtz
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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cc-pvtz_ecp_bfd
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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cc-pvtz_ecp_ccecp
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Added missing atoms to ccECP basis
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2020-05-11 11:26:42 +02:00 |
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cc-pwcv5z
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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cc-pwcvdz
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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cc-pwcvqz
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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cc-pwcvtz
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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chipman-dzp
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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chipman-dzp+diffuse
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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d-aug-cc-pv5z
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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d-aug-cc-pv6z
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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d-aug-cc-pvdz
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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d-aug-cc-pvqz
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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d-aug-cc-pvtz
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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def2-qzvp
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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def2-qzvpd
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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def2-qzvpp
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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def2-qzvppd
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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def2-sv_p
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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def2-svp
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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def2-svpd
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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def2-tzvp
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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def2-tzvpd
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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def2-tzvpp
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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def2-tzvppd
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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install.py
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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jul-cc-pv_d+d_z
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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jul-cc-pv_q+d_z
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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jul-cc-pv_t+d_z
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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jun-cc-pv_d+d_z
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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jun-cc-pv_q+d_z
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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jun-cc-pv_t+d_z
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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lanl08
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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lanl08+
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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lanl08d
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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lanl08f
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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m6-31g
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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may-cc-pv_q+d_z
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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may-cc-pv_t+d_z
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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midi_bang
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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midi_huzinaga
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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mini
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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none
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allow no basis set
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2023-05-10 15:05:18 +02:00 |
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pv6z
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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pv7z
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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pvdz_ahlrichs
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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sto-2g
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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sto-3g
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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sto-3g_star
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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sto-4g
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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sto-5g
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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sto-6g
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
Anthony Scemama
cc606ba8f8