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bonds.F90 File Reference

Bonding properties. More...

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Functions/Subroutines

integer(kind=c_int) function bonding (scf, sbf, adv, bdist, bmin, delt_ij, sfil)
 
subroutine sendcuts (cspa, cspb, cutab)
 
real(kind=c_double) function fdmax (use_pbc)
 
real(kind=c_double) function fkmin (use_pbc)
 
real(kind=c_double) function oglmax ()
 

Detailed Description

Bonding properties.

Author
Sébastien Le Roux sebas.nosp@m.tien.nosp@m..lero.nosp@m.ux@i.nosp@m.pcms..nosp@m.unis.nosp@m.tra.f.nosp@m.r

Definition in file bonds.F90.

Function/Subroutine Documentation

◆ bonding()

integer (kind=c_int) function bonding ( integer (kind=c_int), intent(in) scf,
integer (kind=c_int), intent(in) sbf,
integer (kind=c_int), intent(in) adv,
integer (kind=c_int), intent(in) bdist,
real (kind=c_double), intent(in) bmin,
real (kind=c_double), intent(in) delt_ij,
character (kind=c_char), dimension(*), intent(in) sfil )

Definition at line 21 of file bonds.F90.

◆ fdmax()

real (kind=c_double) function fdmax ( integer (kind=c_int), intent(in) use_pbc)

Definition at line 586 of file bonds.F90.

◆ fkmin()

real (kind=c_double) function fkmin ( integer (kind=c_int), intent(in) use_pbc)

Definition at line 637 of file bonds.F90.

◆ oglmax()

real (kind=c_double) function oglmax

Definition at line 657 of file bonds.F90.

◆ sendcuts()

subroutine sendcuts ( integer (kind=c_int), intent(in) cspa,
integer (kind=c_int), intent(in) cspb,
real (kind=c_double), intent(in) cutab )

Definition at line 569 of file bonds.F90.