diff --git a/fortran/lammps.f90 b/fortran/lammps.f90 index 45540ffb84..7ab6255f90 100644 --- a/fortran/lammps.f90 +++ b/fortran/lammps.f90 @@ -100,6 +100,8 @@ MODULE LIBLAMMPS ! PROCEDURE :: version => lmp_version PROCEDURE :: is_running => lmp_is_running +! + PROCEDURE :: flush_buffers => lmp_flush_buffers PROCEDURE :: has_error => lmp_has_error PROCEDURE :: get_last_error_message => lmp_get_last_error_message END TYPE lammps @@ -393,7 +395,11 @@ MODULE LIBLAMMPS !SUBROUTINE lammps_fix_external_set_vector_length !SUBROUTINE lammps_fix_external_set_vector - !SUBROUTINE lammps_flush_buffers + SUBROUTINE lammps_flush_buffers (handle) BIND(C) + IMPORT :: C_ptr + IMPLICIT NONE + TYPE(C_ptr), VALUE :: handle + END SUBROUTINE lammps_flush_buffers FUNCTION lammps_malloc(size) BIND(C, name='malloc') IMPORT :: c_ptr, c_size_t @@ -856,6 +862,20 @@ CONTAINS lmp_version = lammps_version(self%handle) END FUNCTION lmp_version + ! equivalent function to lammps_is_running + LOGICAL FUNCTION lmp_is_running(self) + CLASS(lammps), INTENT(IN) :: self + + lmp_is_running = ( lammps_is_running(self%handle) /= 0_C_int ) + END FUNCTION lmp_is_running + + ! equivalent function to lammps_flush_buffers + SUBROUTINE lmp_flush_buffers(self) + CLASS(lammps), INTENT(IN) :: self + + call lammps_flush_buffers(self%handle) + END SUBROUTINE lmp_flush_buffers + ! equivalent function to lammps_has_error LOGICAL FUNCTION lmp_has_error(self) CLASS(lammps), INTENT(IN) :: self @@ -893,13 +913,6 @@ CONTAINS END IF END SUBROUTINE lmp_get_last_error_message - ! equivalent function to lammps_is_running - LOGICAL FUNCTION lmp_is_running(self) - CLASS(lammps), INTENT(IN) :: self - - lmp_is_running = ( lammps_is_running(self%handle) /= 0_C_int ) - END FUNCTION lmp_is_running - ! ---------------------------------------------------------------------- ! functions to assign user-space pointers to LAMMPS data ! ----------------------------------------------------------------------