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Optional arguments for find_*_neighlist

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This commit is contained in:
Karl Hammond
2022-10-28 21:01:12 -05:00
parent 73bf0334e4
commit d3ed99c7f8
2 changed files with 24 additions and 12 deletions
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20
fortran/lammps.f90
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@ -1892,11 +1892,17 @@ CONTAINS
INTEGER(c_int) FUNCTION lmp_find_fix_neighlist(self, id, reqid) RESULT(idx)
CLASS(lammps), INTENT(IN) :: self
CHARACTER(LEN=*), INTENT(IN) :: id
INTEGER(c_int), INTENT(IN) :: reqid
INTEGER(c_int), INTENT(IN), OPTIONAL :: reqid
TYPE(c_ptr) :: Cid
INTEGER(c_int) :: Creqid
IF (PRESENT(reqid)) THEN
Creqid = reqid
ELSE
Creqid = 0_c_int
END IF
Cid = f2c_string(id)
idx = lammps_find_fix_neighlist(self%handle, Cid, reqid)
idx = lammps_find_fix_neighlist(self%handle, Cid, Creqid)
IF (idx < 0) THEN
CALL lmp_error(self, LMP_ERROR_WARNING + LMP_ERROR_WORLD, &
'neighbor list not found [Fortran/find_fix_neighlist]')
@ -1909,11 +1915,17 @@ CONTAINS
RESULT(idx)
CLASS(lammps), INTENT(IN) :: self
CHARACTER(LEN=*), INTENT(IN) :: id
INTEGER(c_int), INTENT(IN) :: reqid
INTEGER(c_int), INTENT(IN), OPTIONAL :: reqid
TYPE(c_ptr) :: Cid
INTEGER(c_int) :: Creqid
IF (PRESENT(reqid)) THEN
Creqid = reqid
ELSE
Creqid = 0_c_int
END IF
Cid = f2c_string(id)
idx = lammps_find_compute_neighlist(self%handle, Cid, reqid)
idx = lammps_find_compute_neighlist(self%handle, Cid, Creqid)
IF (idx < 0) THEN
CALL lmp_error(self, LMP_ERROR_WARNING + LMP_ERROR_WORLD, &
'neighbor list not found [Fortran/find_compute_neighlist]')