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MODULE keepcreate
USE liblammps
TYPE(LAMMPS) :: lmp
INTEGER :: mycomm
END MODULE keepcreate
FUNCTION f_lammps_no_mpi_no_args() BIND(C, name="f_lammps_no_mpi_no_args")
USE ISO_C_BINDING, ONLY: c_ptr
USE liblammps
USE keepcreate, ONLY: lmp
IMPLICIT NONE
TYPE(c_ptr) :: f_lammps_no_mpi_no_args
lmp = lammps()
f_lammps_no_mpi_no_args = lmp%handle
END FUNCTION f_lammps_no_mpi_no_args
FUNCTION f_lammps_no_mpi_with_args() BIND(C, name="f_lammps_no_mpi_with_args")
USE ISO_C_BINDING, ONLY: c_ptr
USE liblammps
USE keepcreate, ONLY: lmp
IMPLICIT NONE
TYPE(c_ptr) :: f_lammps_no_mpi_with_args
CHARACTER(len=12), DIMENSION(4), PARAMETER :: args = &
[ CHARACTER(len=12) :: 'liblammps', '-log', 'none', '-nocite' ]
lmp = lammps(args)
f_lammps_no_mpi_with_args = lmp%handle
END FUNCTION f_lammps_no_mpi_with_args
FUNCTION f_lammps_open_no_args() BIND(C, name="f_lammps_open_no_args")
USE ISO_C_BINDING, ONLY: c_ptr
USE MPI, ONLY: MPI_COMM_WORLD, mpi_comm_split
USE liblammps
USE keepcreate, ONLY: lmp,mycomm
IMPLICIT NONE
TYPE(c_ptr) :: f_lammps_open_no_args
INTEGER :: color, key, ierr
color = 1
key = 1
CALL mpi_comm_split(MPI_COMM_WORLD, color, key, mycomm, ierr)
lmp = lammps(comm=mycomm)
f_lammps_open_no_args = lmp%handle
END FUNCTION f_lammps_open_no_args
FUNCTION f_lammps_open_with_args() BIND(C, name="f_lammps_open_with_args")
USE ISO_C_BINDING, ONLY: c_ptr
USE MPI, ONLY: MPI_COMM_WORLD, mpi_comm_split
USE liblammps
USE keepcreate, ONLY: lmp,mycomm
IMPLICIT NONE
TYPE(c_ptr) :: f_lammps_open_with_args
INTEGER :: color, key, ierr
CHARACTER(len=12), DIMENSION(4), PARAMETER :: args = &
[ CHARACTER(len=12) :: 'liblammps', '-log', 'none', '-nocite' ]
color = 2
key = 1
CALL mpi_comm_split(MPI_COMM_WORLD, color, key, mycomm, ierr)
lmp = lammps(args,mycomm)
f_lammps_open_with_args = lmp%handle
END FUNCTION f_lammps_open_with_args
SUBROUTINE f_lammps_close() BIND(C, name="f_lammps_close")
USE ISO_C_BINDING, ONLY: c_null_ptr
USE liblammps
USE keepcreate, ONLY: lmp
IMPLICIT NONE
CALL lmp%close()
lmp%handle = c_null_ptr
END SUBROUTINE f_lammps_close
FUNCTION f_lammps_get_comm() BIND(C, name="f_lammps_get_comm")
USE liblammps
USE keepcreate, ONLY: mycomm
IMPLICIT NONE
INTEGER :: f_lammps_get_comm
f_lammps_get_comm = mycomm
END FUNCTION f_lammps_get_comm
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