.. |
aim.irp.f
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Added aim executable
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2010-06-30 00:03:01 +02:00 |
ao_axis_point.irp.f
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Improved Makefile and configure
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2009-12-04 10:42:19 +01:00 |
ao_full_point.irp.f
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Improved Makefile and configure
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2009-12-04 10:42:19 +01:00 |
ao_oneD_point.irp.f
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Improved Makefile and configure
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2009-12-04 10:42:19 +01:00 |
ao.irp.f
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First working version.
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2009-10-12 17:37:07 +02:00 |
compute.irp.f
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Improved topological partition. Added eplf and density partition
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2010-06-24 10:40:51 +02:00 |
constants.F
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Improved EPLF function for large gammas
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2010-10-27 17:11:38 +02:00 |
debug_eplf.irp.f
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Repaired MPI and output grids to EZFIO
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2009-11-06 00:27:24 +01:00 |
density.irp.f
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Acceleration
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2010-12-17 11:31:05 +01:00 |
det.irp.f
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Acceleration
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2010-12-17 11:31:05 +01:00 |
electrons.irp.f
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First working version.
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2009-10-12 17:37:07 +02:00 |
elf_function.irp.f
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Improved topological partition. Added eplf and density partition
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2010-06-24 10:40:51 +02:00 |
eplf_function.irp.f
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Bug correction
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2010-12-17 11:45:12 +01:00 |
ezfio_interface.irp.f
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Improved topological partition. Added eplf and density partition
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2010-06-24 10:40:51 +02:00 |
file.irp.f
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First working version.
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2009-10-12 17:37:07 +02:00 |
finish.irp.f
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Repaired MPI and output grids to EZFIO
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2009-11-06 00:27:24 +01:00 |
gradients.irp.f
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Introduced templates
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2009-12-09 23:28:19 +01:00 |
grid.irp.f
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Improvements
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2010-12-03 16:06:01 +01:00 |
info.irp.f
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Introduced templates
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2009-12-09 23:28:19 +01:00 |
main.irp.f
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Improved topological partition. Added eplf and density partition
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2010-06-24 10:40:51 +02:00 |
Makefile
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Added Fortran to_cube
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2009-12-10 00:58:43 +01:00 |
mo_point.irp.f
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Acceleration
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2010-12-17 11:31:05 +01:00 |
mo.irp.f
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First working version.
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2009-10-12 17:37:07 +02:00 |
mpi.irp.f
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Repaired MPI and output grids to EZFIO
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2009-11-06 00:27:24 +01:00 |
nuclei.irp.f
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First working version.
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2009-10-12 17:37:07 +02:00 |
overlap.irp.f
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Improved AO overlap
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2010-10-27 18:16:57 +02:00 |
point.irp.f
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Preparation for SourceForge
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2009-09-29 13:42:56 +02:00 |
test_1d.irp.f
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Bug natural orbitals GAMESS
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2010-06-11 13:17:33 +02:00 |
to_cube.irp.f
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Improved topological partition. Added eplf and density partition
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2010-06-24 10:40:51 +02:00 |
types.F
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Improved Makefile and configure
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2009-12-04 10:42:19 +01:00 |
Util.irp.f
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Improved EPLF function for large gammas
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2010-10-27 17:11:38 +02:00 |