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.