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mirror of https://gitlab.com/scemama/eplf synced 2024-10-31 19:23:55 +01:00
eplf/src
2010-06-30 00:03:01 +02:00
..
aim.irp.f Added aim executable 2010-06-30 00:03:01 +02:00
ao_axis_point.irp.f Improved Makefile and configure 2009-12-04 10:42:19 +01:00
ao_full_point.irp.f Improved Makefile and configure 2009-12-04 10:42:19 +01:00
ao_oneD_point.irp.f Improved Makefile and configure 2009-12-04 10:42:19 +01:00
ao.irp.f First working version. 2009-10-12 17:37:07 +02:00
compute.irp.f Improved topological partition. Added eplf and density partition 2010-06-24 10:40:51 +02:00
constants.F Preparation for SourceForge 2009-09-29 13:42:56 +02:00
debug_eplf.irp.f Repaired MPI and output grids to EZFIO 2009-11-06 00:27:24 +01:00
density.irp.f Bug in density 2010-06-10 16:53:46 +02:00
det.irp.f EPLF MCSCF tested => OK ! 2010-06-09 15:10:14 +02:00
electrons.irp.f First working version. 2009-10-12 17:37:07 +02:00
elf_function.irp.f Improved topological partition. Added eplf and density partition 2010-06-24 10:40:51 +02:00
eplf_function.irp.f EPLF MCSCF tested => OK ! 2010-06-09 15:10:14 +02:00
ezfio_interface.irp.f Improved topological partition. Added eplf and density partition 2010-06-24 10:40:51 +02:00
file.irp.f First working version. 2009-10-12 17:37:07 +02:00
finish.irp.f Repaired MPI and output grids to EZFIO 2009-11-06 00:27:24 +01:00
gradients.irp.f Introduced templates 2009-12-09 23:28:19 +01:00
grid.irp.f Added aim executable 2010-06-30 00:03:01 +02:00
info.irp.f Introduced templates 2009-12-09 23:28:19 +01:00
main.irp.f Improved topological partition. Added eplf and density partition 2010-06-24 10:40:51 +02:00
Makefile Added Fortran to_cube 2009-12-10 00:58:43 +01:00
mo_point.irp.f ELF added 2009-10-29 18:57:46 +01:00
mo.irp.f First working version. 2009-10-12 17:37:07 +02:00
mpi.irp.f Repaired MPI and output grids to EZFIO 2009-11-06 00:27:24 +01:00
nuclei.irp.f First working version. 2009-10-12 17:37:07 +02:00
overlap.irp.f Slater rules seem to be OK. testing... 2010-06-04 15:24:54 +02:00
point.irp.f Preparation for SourceForge 2009-09-29 13:42:56 +02:00
test_1d.irp.f Bug natural orbitals GAMESS 2010-06-11 13:17:33 +02:00
to_cube.irp.f Improved topological partition. Added eplf and density partition 2010-06-24 10:40:51 +02:00
types.F Improved Makefile and configure 2009-12-04 10:42:19 +01:00
Util.irp.f Preparation for SourceForge 2009-09-29 13:42:56 +02:00