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.irp.f
|
Integral over contracted basis functions OK.
|
2009-05-11 23:43:45 +02:00 |
constants.F
|
Obara Saika for primitive overlap integral
|
2009-05-11 22:17:21 +02:00 |
debug.irp.f
|
Reduce memory and correct bug with qcio
|
2009-05-18 15:00:54 +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
|
Added recursive fortran func
|
2009-05-20 17:57:35 +02:00 |
Makefile
|
Changed Makefile for distribution
|
2009-06-02 12:43:35 +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 |
point.irp.f
|
d_up_up is negative for open shell => bug
|
2009-05-14 17:48:27 +02:00 |
test_1d.irp.f
|
d_up_up is negative for open shell => bug
|
2009-05-14 17:48:27 +02:00 |