|
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 |
|