LCPQ/EMSL_Basis_Set_Exchange_Local
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120 Commits 2 Branches 1 Tag 40 MiB
e8609fbd6a
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15 Commits

Author SHA1 Message Date
Thomas Applencourt
e8609fbd6a Add all the transition metal 2015-07-24 10:34:30 +02:00
Thomas Applencourt
f209aa9fc0 Add CU 2015-07-24 10:15:27 +02:00
Thomas Applencourt
c9cc04340a Now pseudo is in a gamess format 2015-04-10 15:50:44 +02:00
Thomas Applencourt
27ec49df01 Now pseudo is in a gamess format 2015-04-10 14:48:22 +02:00
Thomas Applencourt
2848bb22e0 Add cpdz 2015-03-23 19:35:36 +01:00
Thomas Applencourt
0e7af4546e Add db/Pseudo for Burkatzki, Filippi and Dolg data 2015-03-23 10:49:09 +01:00
Thomas Applencourt
789c8d1039 New name format for db 2015-03-17 16:11:59 +01:00
Thomas Applencourt
ec0fc43bf8 Add format in db 2015-03-16 19:10:55 +01:00
Thomas Applencourt
1729a48591 Add rought estimation of number of basis 2015-02-27 11:52:25 +01:00
Thomas Applencourt
7c6812f258 New design for basis set 2015-01-20 14:20:06 +01:00
Thomas Applencourt
80c69ae88a New db working 2015-01-09 16:32:40 +01:00
Thomas Applencourt
cf1e3768d7 New db 2015-01-09 15:44:03 +01:00
Thomas Applencourt
426f847bf3 New Working db 2014-12-11 10:30:40 +01:00
Thomas Applencourt
45a26ba7e1 Add the gaussian uk contracted databaset 2014-11-20 15:34:46 +01:00
Thomas Applencourt
53aaf0cb71 Version 0.1 2014-11-12 14:30:26 +01:00