Documentation for module periodic_table

Periodic Table related data definitions

source: periodic_table.F
Loading...

public Subroutines/Functions:

Pass information about the kind given the element symbol
Initialization of Periodic Table related data

Parameters:

INTEGER
:: nelem = 118

Other:

TYPE(atom)
:: ptable(0:NELEM)

SUBROUTINEget_ptable_info(symbol, number, amass, ielement, covalent_radius, vdw_radius, found)

Pass information about the kind given the element symbol

Arguments:
CHARACTER(2),
INTENT(in)
:: symbol ...
INTEGER,
INTENT(out),
OPTIONAL
:: number ...
REAL(dp),
INTENT(out),
OPTIONAL
:: amass ...
INTEGER,
INTENT(out),
OPTIONAL
:: ielement ...
REAL(dp),
INTENT(out),
OPTIONAL
:: covalent_radius ...
REAL(dp),
INTENT(out),
OPTIONAL
:: vdw_radius ...
LOGICAL,
OPTIONAL
:: found ...

SUBROUTINEinit_periodic_table()

Initialization of Periodic Table related data


private Parameters/Types:

private Types:

TYPE :: atom

...


CHARACTER(2)
:: symbol ...
CHARACTER(14)
:: name ...
INTEGER
:: number ...
REAL(dp)
:: amass ...
REAL(dp)
:: covalent_radius ...
REAL(dp)
:: vdw_radius ...
INTEGER
:: e_conv ...
REAL(dp)
:: heat_of_formation ...
REAL(dp)
:: eht_param ...
REAL(dp)
:: gyrom_ratio ...
INTEGER
:: gyrom_ratio_isotope ...