10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-26 14:23:43 +01:00
quantum_package/plugins/Hartree_Fock_SlaterDressed/EZFIO.cfg

27 lines
557 B
INI
Raw Normal View History

2017-06-08 22:15:42 +02:00
[slater_expo_ezfio]
type: double precision
doc: Exponents of the additional Slater functions
size: (nuclei.nucl_num)
interface: ezfio, provider
[slater_coef_ezfio]
type: double precision
doc: Exponents of the additional Slater functions
2017-06-12 16:31:34 +02:00
size: (nuclei.nucl_num,mo_basis.mo_tot_num)
2017-06-08 22:15:42 +02:00
interface: ezfio, provider
2017-06-19 20:38:28 +02:00
[projector]
type: double precision
doc: Orthogonal AO basis
size: (ao_basis.ao_num,ao_basis.ao_num)
2017-06-26 18:11:49 +02:00
interface: ezfio
[ao_orthoSlaOverlap]
type: double precision
doc: Orthogonal AO basis
size: (ao_basis.ao_num,nuclei.nucl_num)
interface: ezfio
2017-06-19 20:38:28 +02:00
2017-06-08 22:15:42 +02:00