Computes the Electron Pair Localization Function

Anthony Scemama a7867c90d9 Removed files		2009-06-02 12:45:06 +02:00
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	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
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	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
overlap.irp.f	Numeric integrals for test. Analytic integrals OK	2009-05-14 15:25:18 +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