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rpm
|
added eplf_input.py
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2009-06-19 11:38:23 +02:00 |
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test/QCIO_File
|
Reduce memory and correct bug with qcio
|
2009-05-18 15:00:54 +02:00 |
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LICENSE
|
Added types.h
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2009-06-10 00:41:32 +02:00 |
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Makefile
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eplf rpm
|
2009-06-19 11:36:01 +02:00 |
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README
|
Added types.h
|
2009-06-10 00:41:32 +02:00 |
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Util.irp.f
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Acceleration
|
2009-06-15 11:33:16 +02:00 |
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ao.irp.f
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Acceleration
|
2009-06-15 11:33:16 +02:00 |
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ao_axis_point.irp.f
|
d_up_up is negative for open shell => bug
|
2009-05-14 17:48:27 +02:00 |
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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 |
|
constants.F
|
Obara Saika for primitive overlap integral
|
2009-05-11 22:17:21 +02:00 |
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debug_eplf.irp.f
|
Added types.h
|
2009-06-10 00:41:32 +02:00 |
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electrons.irp.f
|
d_up_up is negative for open shell => bug
|
2009-05-14 17:48:27 +02:00 |
|
eplf.irp.f
|
Acceleration
|
2009-06-15 11:33:16 +02:00 |
|
eplf_grid.irp.f
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Parallel and OK.
|
2009-05-15 01:01:27 +02:00 |
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eplf_hf.irp.f
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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 |
|
mo_point.irp.f
|
Using MO basis => fast!!!
|
2009-05-15 17:18:39 +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 |
|
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 |
Anthony Scemama
1f98448f75