mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-19 04:22:32 +01:00
70 lines
1.7 KiB
INI
70 lines
1.7 KiB
INI
[jast_type]
|
|
doc: Type of Jastrow [None| Mu | Qmckl]
|
|
type: character*(32)
|
|
interface: ezfio, provider, ocaml
|
|
default: None
|
|
|
|
[jast_qmckl_type_nucl_num]
|
|
doc: Number of different nuclei types in QMCkl jastrow
|
|
type: integer
|
|
interface: ezfio, provider
|
|
|
|
[jast_qmckl_type_nucl_vector]
|
|
doc: Nucleus type in QMCkl jastrow
|
|
type: integer
|
|
size: (nuclei.nucl_num)
|
|
interface: ezfio, provider
|
|
|
|
[jast_qmckl_rescale_ee]
|
|
doc: Rescaling factor for electron-electron in QMCkl Jastrow
|
|
type: double precision
|
|
interface: ezfio, provider
|
|
|
|
[jast_qmckl_rescale_en]
|
|
doc: Rescaling factor for electron-nucleus in QMCkl Jastrow
|
|
type: double precision
|
|
size: (jastrow.jast_qmckl_type_nucl_num)
|
|
interface: ezfio, provider
|
|
|
|
[jast_qmckl_aord_num]
|
|
doc: Order of polynomials in e-n parameters of QMCkl jastrow
|
|
type: integer
|
|
interface: ezfio, provider
|
|
|
|
[jast_qmckl_bord_num]
|
|
doc: Order of polynomials in e-e parameters of QMCkl jastrow
|
|
type: integer
|
|
interface: ezfio, provider
|
|
|
|
[jast_qmckl_cord_num]
|
|
doc: Order of polynomials in e-e-n parameters of QMCkl jastrow
|
|
type: integer
|
|
interface: ezfio, provider
|
|
|
|
[jast_qmckl_c_vector_size]
|
|
doc: Number of parameters for c_vector
|
|
type: integer
|
|
interface: ezfio, provider
|
|
|
|
[jast_qmckl_a_vector]
|
|
doc: electron-nucleus parameters in QMCkl Jastrow
|
|
type: double precision
|
|
size: (jastrow.jast_qmckl_type_nucl_num*jastrow.jast_qmckl_aord_num+jastrow.jast_qmckl_type_nucl_num)
|
|
interface: ezfio, provider
|
|
|
|
[jast_qmckl_b_vector]
|
|
doc: electron-electron parameters in QMCkl Jastrow
|
|
type: double precision
|
|
size: (jastrow.jast_qmckl_bord_num+1)
|
|
interface: ezfio, provider
|
|
|
|
[jast_qmckl_c_vector]
|
|
doc: electron-electron-nucleus parameters in QMCkl Jastrow
|
|
type: double precision
|
|
size: (jastrow.jast_qmckl_c_vector_size)
|
|
interface: ezfio, provider
|
|
|
|
|
|
|
|
|