quantum_package/src/Pseudo/EZFIO.cfg

[pseudo_klocmax]
doc: test
type:integer
interface: ezfio,provider

[pseudo_n_k]
doc: test
type: integer
interface: ezfio,provider
size: (nuclei.nucl_num,pseudo.pseudo_klocmax)

[pseudo_v_k]
doc: test
type: double precision
interface: ezfio,provider
size:  (nuclei.nucl_num,pseudo.pseudo_klocmax)

[pseudo_dz_k]
doc: test
type: double precision
interface: ezfio,provider
size:  (nuclei.nucl_num,pseudo.pseudo_klocmax)

[pseudo_lmax]
doc: test
type:integer
interface: ezfio,provider

[pseudo_kmax]
doc: test
type:integer
interface: ezfio,provider

[pseudo_n_kl]
doc: test
type: integer
interface: ezfio,provider
size: (nuclei.nucl_num,pseudo.pseudo_kmax,0:pseudo.pseudo_lmax)

[pseudo_v_kl]
doc: test
type: double precision
interface: ezfio,provider
size: (nuclei.nucl_num,pseudo.pseudo_kmax,0:pseudo.pseudo_lmax)

[pseudo_dz_kl]
doc: test
type: double precision
interface: ezfio,provider
size: (nuclei.nucl_num,pseudo.pseudo_kmax,0:pseudo.pseudo_lmax)

[do_pseudo]
type: logical
doc:  Using pseudo potential integral or not
interface: ezfio,provider,ocaml
default: False

[pseudo_grid_size]
type: integer
doc: Nb of points of the QMC grid 
interface: ezfio,provider,ocaml
default: 1000

[pseudo_grid_rmax]
type: double precision
doc: R_maxof the QMC grid 
interface: ezfio,provider,ocaml
default: 10.0

[ao_pseudo_grid]
type: double precision
doc: QMC grid 
interface: ezfio
size: (ao_basis.ao_num,-pseudo.pseudo_lmax:pseudo.pseudo_lmax,0:pseudo.pseudo_lmax,nuclei.nucl_num,pseudo.pseudo_grid_size)

[mo_pseudo_grid]
type: double precision
doc: QMC grid 
interface: ezfio
size: (ao_basis.ao_num,-pseudo.pseudo_lmax:pseudo.pseudo_lmax,0:pseudo.pseudo_lmax,nuclei.nucl_num,pseudo.pseudo_grid_size)
Add missing file 2015-05-11 14:45:37 +02:00			`[pseudo_klocmax]`
			`doc: test`
			`type:integer`
Update the EZFIO.cfg with the new keyword 2015-06-18 15:01:04 +02:00			`interface: ezfio,provider`
Add missing file 2015-05-11 14:45:37 +02:00
			`[pseudo_n_k]`
			`doc: test`
			`type: integer`
Update the EZFIO.cfg with the new keyword 2015-06-18 15:01:04 +02:00			`interface: ezfio,provider`
Add missing file 2015-05-11 14:45:37 +02:00			`size: (nuclei.nucl_num,pseudo.pseudo_klocmax)`

			`[pseudo_v_k]`
			`doc: test`
			`type: double precision`
Update the EZFIO.cfg with the new keyword 2015-06-18 15:01:04 +02:00			`interface: ezfio,provider`
Add missing file 2015-05-11 14:45:37 +02:00			`size: (nuclei.nucl_num,pseudo.pseudo_klocmax)`

			`[pseudo_dz_k]`
			`doc: test`
			`type: double precision`
Update the EZFIO.cfg with the new keyword 2015-06-18 15:01:04 +02:00			`interface: ezfio,provider`
Add missing file 2015-05-11 14:45:37 +02:00			`size: (nuclei.nucl_num,pseudo.pseudo_klocmax)`

			`[pseudo_lmax]`
			`doc: test`
			`type:integer`
Update the EZFIO.cfg with the new keyword 2015-06-18 15:01:04 +02:00			`interface: ezfio,provider`
Add missing file 2015-05-11 14:45:37 +02:00
			`[pseudo_kmax]`
			`doc: test`
			`type:integer`
Update the EZFIO.cfg with the new keyword 2015-06-18 15:01:04 +02:00			`interface: ezfio,provider`
Add missing file 2015-05-11 14:45:37 +02:00
			`[pseudo_n_kl]`
			`doc: test`
			`type: integer`
Update the EZFIO.cfg with the new keyword 2015-06-18 15:01:04 +02:00			`interface: ezfio,provider`
Add missing file 2015-05-11 14:45:37 +02:00			`size: (nuclei.nucl_num,pseudo.pseudo_kmax,0:pseudo.pseudo_lmax)`

			`[pseudo_v_kl]`
			`doc: test`
			`type: double precision`
Update the EZFIO.cfg with the new keyword 2015-06-18 15:01:04 +02:00			`interface: ezfio,provider`
Add missing file 2015-05-11 14:45:37 +02:00			`size: (nuclei.nucl_num,pseudo.pseudo_kmax,0:pseudo.pseudo_lmax)`

			`[pseudo_dz_kl]`
			`doc: test`
			`type: double precision`
Update the EZFIO.cfg with the new keyword 2015-06-18 15:01:04 +02:00			`interface: ezfio,provider`
Add missing file 2015-05-11 14:45:37 +02:00			`size: (nuclei.nucl_num,pseudo.pseudo_kmax,0:pseudo.pseudo_lmax)`
Move do_pseudo 2015-05-11 15:50:39 +02:00
			`[do_pseudo]`
			`type: logical`
Accelerated pseudopotentials 2015-10-16 14:33:57 +02:00			`doc: Using pseudo potential integral or not`
Update the EZFIO.cfg with the new keyword 2015-06-18 15:01:04 +02:00			`interface: ezfio,provider,ocaml`
Move do_pseudo 2015-05-11 15:50:39 +02:00			`default: False`

Added module DensityFit 2015-05-13 22:52:03 +02:00			`[pseudo_grid_size]`
			`type: integer`
Added Davidson in MRCC 2015-05-21 10:15:13 +02:00			`doc: Nb of points of the QMC grid`
Update the EZFIO.cfg with the new keyword 2015-06-18 15:01:04 +02:00			`interface: ezfio,provider,ocaml`
Changed pseudo_ao in EZFIO 2015-05-26 21:37:17 +02:00			`default: 1000`
Added module DensityFit 2015-05-13 22:52:03 +02:00
Added Davidson in MRCC 2015-05-21 10:15:13 +02:00			`[pseudo_grid_rmax]`
			`type: double precision`
			`doc: R_maxof the QMC grid`
Update the EZFIO.cfg with the new keyword 2015-06-18 15:01:04 +02:00			`interface: ezfio,provider,ocaml`
Changed pseudo_ao in EZFIO 2015-05-26 21:37:17 +02:00			`default: 10.0`
Added Davidson in MRCC 2015-05-21 10:15:13 +02:00
Changed pseudo_ao in EZFIO 2015-05-26 21:37:17 +02:00			`[ao_pseudo_grid]`
Added module DensityFit 2015-05-13 22:52:03 +02:00			`type: double precision`
			`doc: QMC grid`
Update the EZFIO.cfg with the new keyword 2015-06-18 15:01:04 +02:00			`interface: ezfio`
Changed pseudo_ao in EZFIO 2015-05-26 21:37:17 +02:00			`size: (ao_basis.ao_num,-pseudo.pseudo_lmax:pseudo.pseudo_lmax,0:pseudo.pseudo_lmax,nuclei.nucl_num,pseudo.pseudo_grid_size)`

			`[mo_pseudo_grid]`
			`type: double precision`
			`doc: QMC grid`
Update the EZFIO.cfg with the new keyword 2015-06-18 15:01:04 +02:00			`interface: ezfio`
Changed pseudo_ao in EZFIO 2015-05-26 21:37:17 +02:00			`size: (ao_basis.ao_num,-pseudo.pseudo_lmax:pseudo.pseudo_lmax,0:pseudo.pseudo_lmax,nuclei.nucl_num,pseudo.pseudo_grid_size)`
Added module DensityFit 2015-05-13 22:52:03 +02:00