ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Fixed optional parameters in find_pair_neighlist

Browse Source
This commit is contained in:
Karl Hammond
2022-10-28 20:53:46 -05:00
parent 55dafc110d
commit 73bf0334e4
2 changed files with 26 additions and 14 deletions
Download Patch File Download Diff File Expand all files Collapse all files

25
fortran/lammps.f90
View File

@ -1857,19 +1857,30 @@ CONTAINS
reqid)
CLASS(lammps), INTENT(IN) :: self
CHARACTER(LEN=*), INTENT(IN) :: style
LOGICAL, INTENT(IN) :: exact
INTEGER(c_int), INTENT(IN) :: nsub, reqid
LOGICAL, INTENT(IN), OPTIONAL :: exact
INTEGER(c_int), INTENT(IN), OPTIONAL :: nsub, reqid
TYPE(c_ptr) :: Cstyle
INTEGER(c_int) :: Cexact
INTEGER(c_int) :: Cexact, Cnsub, Creqid
IF (exact) THEN
Cexact = 1_c_int
Cexact = 0_c_int
IF (PRESENT(exact)) THEN
IF (exact) THEN
Cexact = 1_c_int
END IF
END IF
IF (PRESENT(nsub)) THEN
Cnsub = nsub
ELSE
Cexact = 0_c_int
Cnsub = 0_c_int
END IF
IF (PRESENT(reqid)) THEN
Creqid = reqid
ELSE
Creqid = 0_c_int
END IF
Cstyle = f2c_string(style)
lmp_find_pair_neighlist = lammps_find_pair_neighlist(self%handle, Cstyle, &
Cexact, nsub, reqid)
Cexact, Cnsub, Creqid)
IF (lmp_find_pair_neighlist < 0) THEN
CALL lmp_error(self, LMP_ERROR_WARNING + LMP_ERROR_WORLD, &
'unable to find pair neighbor list [Fortran/find_pair_neighlist]')