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Computes the Electron Pair Localization Function
4 Commits 1 Branch 0 Tags 2.5 MiB
Fortran 70.3%
Python 22%
M4 3.8%
Forth 3%
Makefile 0.9%
af8b3d3dfc
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Anthony Scemama af8b3d3dfc Seems OK
2009-05-14 00:45:29 +02:00
test/QCIO_File Seems OK 2009-05-14 00:45:29 +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 Seems OK 2009-05-14 00:45:29 +02:00
Makefile Seems OK 2009-05-14 00:45:29 +02:00
nuclei.irp.f Integral over contracted basis functions OK. 2009-05-11 23:43:45 +02:00
overlap.irp.f Seems OK 2009-05-14 00:45:29 +02:00