|
rpm
|
Removed files
|
2009-06-02 12:45:06 +02:00 |
|
test/QCIO_File
|
Reduce memory and correct bug with qcio
|
2009-05-18 15:00:54 +02:00 |
|
ao_axis_point.irp.f
|
d_up_up is negative for open shell => bug
|
2009-05-14 17:48:27 +02:00 |
|
ao_full_point.irp.f
|
d_up_up is negative for open shell => bug
|
2009-05-14 17:48:27 +02:00 |
|
ao_oneD_point.irp.f
|
d_up_up is negative for open shell => bug
|
2009-05-14 17:48:27 +02:00 |
|
ao.irp.f
|
Acceleration
|
2009-06-15 11:33:16 +02:00 |
|
constants.F
|
Obara Saika for primitive overlap integral
|
2009-05-11 22:17:21 +02:00 |
|
debug_eplf.irp.f
|
Added types.h
|
2009-06-10 00:41:32 +02:00 |
|
electrons.irp.f
|
d_up_up is negative for open shell => bug
|
2009-05-14 17:48:27 +02:00 |
|
eplf_grid.irp.f
|
Parallel and OK.
|
2009-05-15 01:01:27 +02:00 |
|
eplf_hf.irp.f
|
Using MO basis => fast!!!
|
2009-05-15 17:18:39 +02:00 |
|
eplf.irp.f
|
Acceleration
|
2009-06-15 11:33:16 +02:00 |
|
LICENSE
|
Added types.h
|
2009-06-10 00:41:32 +02:00 |
|
Makefile
|
Acceleration
|
2009-06-15 11:33:16 +02:00 |
|
mo_point.irp.f
|
Using MO basis => fast!!!
|
2009-05-15 17:18:39 +02:00 |
|
mo.irp.f
|
Reduce memory and correct bug with qcio
|
2009-05-18 15:00:54 +02:00 |
|
mpi.irp.f
|
Parallel and OK.
|
2009-05-15 01:01:27 +02:00 |
|
nuclei.irp.f
|
Reduce memory and correct bug with qcio
|
2009-05-18 15:00:54 +02:00 |
|
overlap.irp.f
|
Acceleration
|
2009-06-15 11:33:16 +02:00 |
|
point.irp.f
|
d_up_up is negative for open shell => bug
|
2009-05-14 17:48:27 +02:00 |
|
README
|
Added types.h
|
2009-06-10 00:41:32 +02:00 |
|
test_1d.irp.f
|
Acceleration
|
2009-06-15 11:33:16 +02:00 |
|
types.F
|
Added types.h
|
2009-06-10 00:41:32 +02:00 |
|
Util.irp.f
|
Acceleration
|
2009-06-15 11:33:16 +02:00 |
