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quantum_package
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quantum_package
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plugins
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DFT_Utils
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Emmanuel Giner
a0d5869054
Modifs of fobo-scf
2016-07-16 16:09:50 +02:00
..
EZFIO.cfg
begin DFT in qp
2016-04-17 23:30:04 +02:00
grid_density.irp.f
Modifs of fobo-scf
2016-07-16 16:09:50 +02:00
integration_3d.irp.f
Modifs of fobo-scf
2016-07-16 16:09:50 +02:00
integration_radial.irp.f
Modifs of fobo-scf
2016-07-16 16:09:50 +02:00
NEEDED_CHILDREN_MODULES
begin DFT in qp
2016-04-17 23:30:04 +02:00
routines_roland.irp.f
begin DFT in qp
2016-04-17 23:30:04 +02:00
test_integration_3d_density.irp.f
Integration for DFT seems to be ok, but need to improve the angular part
2016-04-21 23:59:50 +02:00