Functions to handle PSML pseudopotential format structures
@author Alberto Garcia
Variables
Type | Visibility |
Attributes | | Name | | Initial | |
integer, |
public, |
parameter | :: |
dp | = | selected_real_kind(14) | |
logical, |
public |
| :: |
global_debug | = | .false. | |
character(len=1), |
public, |
dimension(0:4) | :: |
sym | = | (/"s", "p", "d", "f", "g"/) | |
Subroutines
Arguments
Type |
Intent | Optional |
Attributes | | Name | |
type(ps_t), |
intent(in) |
|
| :: |
ps | |
character(len=*), |
intent(in) |
|
| :: |
fname | |
logical, |
intent(in), |
optional |
| :: |
indent | |
Arguments
Type |
Intent | Optional |
Attributes | | Name | |
type(xmlf_t), |
intent(inout) |
|
| :: |
xf | |
type(provenance_t), |
|
|
pointer | :: |
p | |
Arguments
Type |
Intent | Optional |
Attributes | | Name | |
type(xmlf_t), |
intent(inout) |
|
| :: |
xf | |
type(xc_t), |
intent(in) |
|
| :: |
p | |
Arguments
Type |
Intent | Optional |
Attributes | | Name | |
type(xmlf_t), |
intent(inout) |
|
| :: |
xf | |
type(config_val_t), |
intent(in) |
|
| :: |
p | |
Arguments
Type |
Intent | Optional |
Attributes | | Name | |
type(xmlf_t), |
intent(inout) |
|
| :: |
xf | |
type(ps_t), |
intent(in), |
|
target | :: |
ps | |
Arguments
Type |
Intent | Optional |
Attributes | | Name | |
type(xmlf_t), |
intent(inout) |
|
| :: |
xf | |
type(radfunc_t), |
intent(in) |
|
| :: |
rf | |
type(Grid_t) |
|
|
| :: |
parent_grid | |
Arguments
Type |
Intent | Optional |
Attributes | | Name | |
type(xmlf_t), |
intent(inout) |
|
| :: |
xf | |
type(valence_charge_t), |
intent(in) |
|
| :: |
val | |
type(Grid_t) |
|
|
| :: |
parent_grid | |
Arguments
Type |
Intent | Optional |
Attributes | | Name | |
type(xmlf_t), |
intent(inout) |
|
| :: |
xf | |
type(core_charge_t), |
intent(in) |
|
| :: |
core | |
type(Grid_t) |
|
|
| :: |
parent_grid | |
Arguments
Type |
Intent | Optional |
Attributes | | Name | |
type(xmlf_t), |
intent(inout) |
|
| :: |
xf | |
type(ps_t), |
intent(in), |
|
target | :: |
ps | |
Arguments
Type |
Intent | Optional |
Attributes | | Name | |
type(xmlf_t), |
intent(inout) |
|
| :: |
xf | |
type(ps_t), |
intent(in), |
|
target | :: |
ps | |
Arguments
Type |
Intent | Optional |
Attributes | | Name | |
type(xmlf_t), |
intent(inout) |
|
| :: |
xf | |
type(ps_t), |
intent(in), |
|
target | :: |
ps | |
Arguments
Type |
Intent | Optional |
Attributes | | Name | |
type(xmlf_t), |
intent(inout) |
|
| :: |
xf | |
type(ps_t), |
intent(in), |
|
target | :: |
ps | |
Arguments
Type |
Intent | Optional |
Attributes | | Name | |
type(xmlf_t), |
intent(inout) |
|
| :: |
xf | |
type(Grid_t), |
intent(in) |
|
| :: |
agrid | |
Arguments
Type |
Intent | Optional |
Attributes | | Name | |
type(xmlf_t), |
intent(inout) |
|
| :: |
xf | |
type(ps_annotation_t), |
intent(in) |
|
| :: |
annotation | |
Arguments
Type |
Intent | Optional |
Attributes | | Name | |
type(xmlf_t), |
intent(inout) |
|
| :: |
xf | |
character(len=*), |
intent(in) |
|
| :: |
name | |
character(len=*), |
intent(in) |
|
| :: |
value | |