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Commit Graph

22 Commits

Author SHA1 Message Date
7e44111935 Updated for 2020 2020-06-03 00:33:30 +02:00
Anthony Scemama
ce07d1dc50 Bug in density 2012-03-08 13:10:33 +01:00
Anthony Scemama
21bebc57b4 Cleaned configure script 2010-10-08 12:36:02 +02:00
Anthony Scemama
35b8342b3e Added aim executable 2010-06-30 00:03:01 +02:00
Anthony Scemama
919c59a86f Added input wrapper 2010-06-22 12:35:25 +02:00
Anthony Scemama
f19db06333 Bug in interface 2010-05-27 18:11:19 +02:00
Anthony Scemama
fab6ef7e30 Added to_cube.py 2009-12-04 16:14:23 +01:00
Anthony Scemama
6d29b1d8c9 Improved Makefile and configure 2009-12-04 10:42:19 +01:00
Anthony Scemama
75ad773cbd ELF added 2009-10-29 18:57:46 +01:00
688fe8a722 Preparation for SourceForge 2009-09-29 13:42:56 +02:00
576063dab3 qcio file as an argument 2009-09-11 17:35:23 +02:00
be4107e031 eplf rpm 2009-06-19 11:36:01 +02:00
da570c030f Acceleration 2009-06-15 11:33:16 +02:00
dc47a48108 Added types.h 2009-06-10 00:41:32 +02:00
7a644b4b42 Changed Makefile for distribution 2009-06-02 12:43:35 +02:00
5de7b72028 Added recursive fortran func 2009-05-20 17:57:35 +02:00
5069a720a0 Reduce memory and correct bug with qcio 2009-05-18 15:00:54 +02:00
b61b8e51e3 Parallel and OK. 2009-05-15 01:01:27 +02:00
1284eab958 Numeric integrals for test. Analytic integrals OK 2009-05-14 15:25:18 +02:00
af8b3d3dfc Seems OK 2009-05-14 00:45:29 +02:00
44b010d794 Integral over contracted basis functions OK. 2009-05-11 23:43:45 +02:00
432cbe0736 Obara Saika for primitive overlap integral 2009-05-11 22:17:21 +02:00