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Added flush_buffers

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This commit is contained in:
Karl Hammond
2022-09-28 07:40:06 -05:00
parent 6109090d40
commit e22699197d
1 changed files with 21 additions and 8 deletions
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29
fortran/lammps.f90
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@ -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
! ----------------------------------------------------------------------