Derived Types

TypeLocationExtendsDescription
CELL_ENERGYPARTS type_cell None
CELL_TYPE type_cell None
CELL_TYPENEW type_cellnew None
CELL_TYPEORBIT type_cellorbit None
cfg_TYPE type_cfg None
cfg_TYPE mod_calconfs None
cfga_TYPE type_cfg None
cluster_TYPE type_data None
config_type type_config None
corestate_type type_corestate None
DENSITY_TYPE type_density None
ENERGYPARTS_TYPE type_ENERGYPARTS None
gauntcoeff_type type_gauntcoeff None
gauntshape_type type_gauntshape None
gmat_type type_gmat None
gmatbulk_type type_gmatbulk None
impcls_TYPE mod_scattering None
inc_TYPE type_inc None
lattice_TYPE type_data None
sca_TYPE mod_scattering None
symmetries_TYPE mod_symmetries None
tgmatrx_TYPE type_data None
type_bfield mod_bfield None

T y p e

u s e d

i n

t _ p a r a m s

t o

s t o r e

a l l

r e l e v a n t

i n f o r m a t i o n

f o r

b f i e l d s

a n d

c o n s t r a i n i n g

f i e l d s

Read more…
type_cpa mod_types None

T y p e

h o l d i n g

C P A

i n f o r m a t i o n

Read more…
type_dtmatjijdij mod_types None

D a t a

t y p e

f o r

t h e

d e r i v a t i v e s

o f

t h e

t

m a t r i x

w i t h

r e s p e c t

t o

c h a n g i n g

t h e

n o n - c o l l i n e a r

a n g l e s

i n

d i r e c t i o n s

{ x , y , z }

Read more…
type_imp mod_types None

T y p e

h o l d i n g

i n f o r m a t i o n

f o r

i m p u r i t y

p o t e n t i a l ,

n e e d e d

i n

G R E E N I M P

m o d e

Read more…
type_inc mod_types None

T y p e

h o l d i n g

s o m e

a r r a y

d i m e n s i o n s

n e e d e d

i n d e p e n d e n t l y

o f

t _ p a r a m s

Read more…
type_lloyd mod_types None

T y p e

h o l d i n g

i n f o r m a t i o n

n e e d e d

f o r

l l o y d

s u c h

a s

d e r i v a t i v e s

o f

s i n g l e

s i t e

t

m a t r i x ,

r e f e r e n c e

G F

o r

t h e

t r a c e

o f

a l p h a

m a t r i x

a n d

Read more…
type_madel mod_types None

T y p e

h o l d i n g

i n f o r m a t i o n

f o r

t h e

m a d e l u n g

p o t e n t i a l s

Read more…
type_mpi_cartesian_grid_info mod_types None

T y p e

h o l d i n g

i n f o r m a t i o n

o n

t h e

M P I

p a r a l l e l i z a t i o n

s c h e m e

Read more…
type_params mod_wunfiles None

T y p e

h o l d i n g

i n f o r m a t i o n

o f

p a r a m e t e r s

f o r

t h e

c o m m u n i c a t i o n

o f

d a t a

Read more…
type_tgmatices mod_types None

T y p e

h o l d i n g

s i n g l e

s i t e

t

m a t r i x ,

r e f e r e n c e

G F

a n d

s t r u c t u r a l

G F

( g m a t )

f o r

d i s t r i b u t i o n

b e t w e e n

1 a ,

1 b

a n d

1 c

p a r t s

o f

t h e

c o d e

Read more…