atomes 1.1.14
atomes: an atomic scale modeling tool box
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Bonding properties. More...
Go to the source code of this file.
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 () |
Bonding properties.
Definition in file bonds.F90.
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 ) |
real (kind=c_double) function fdmax | ( | integer (kind=c_int), intent(in) | use_pbc | ) |
real (kind=c_double) function fkmin | ( | integer (kind=c_int), intent(in) | use_pbc | ) |