155 lines
4.3 KiB
Fortran
155 lines
4.3 KiB
Fortran
FUNCTION f_lammps_with_args() BIND(C)
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USE ISO_C_BINDING, ONLY: c_ptr
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USE liblammps
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USE keepstuff, ONLY: lmp
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IMPLICIT NONE
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TYPE(c_ptr) :: f_lammps_with_args
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CHARACTER(len=12), DIMENSION(12), PARAMETER :: args = &
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[ CHARACTER(len=12) :: 'liblammps', '-log', 'none', &
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'-echo','screen','-nocite','-var','zpos','1.5','-var','x','2']
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lmp = lammps(args)
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f_lammps_with_args = lmp%handle
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END FUNCTION f_lammps_with_args
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SUBROUTINE f_lammps_close() BIND(C)
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USE ISO_C_BINDING, ONLY: c_null_ptr
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USE liblammps
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USE keepstuff, ONLY: lmp
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IMPLICIT NONE
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CALL lmp%close()
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lmp%handle = c_null_ptr
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END SUBROUTINE f_lammps_close
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SUBROUTINE f_lammps_get_thermo_setup() BIND(C)
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USE liblammps
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USE keepstuff, ONLY : lmp, big_input, cont_input, pair_input
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IMPLICIT NONE
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CALL lmp%commands_list(big_input)
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CALL lmp%commands_list(cont_input)
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CALL lmp%commands_list(pair_input)
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END SUBROUTINE f_lammps_get_thermo_setup
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FUNCTION f_lammps_get_thermo_natoms() BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY: c_double
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USE liblammps
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USE keepstuff, ONLY : lmp
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IMPLICIT NONE
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REAL(c_double) :: f_lammps_get_thermo_natoms
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f_lammps_get_thermo_natoms = lmp%get_thermo('atoms')
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END FUNCTION f_lammps_get_thermo_natoms
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FUNCTION f_lammps_get_thermo_dt() BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY: c_double
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USE liblammps
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USE keepstuff, ONLY : lmp
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IMPLICIT NONE
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REAL(c_double) :: f_lammps_get_thermo_dt
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f_lammps_get_thermo_dt = lmp%get_thermo('dt')
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END FUNCTION f_lammps_get_thermo_dt
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FUNCTION f_lammps_get_thermo_vol() BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY: c_double
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USE liblammps
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USE keepstuff, ONLY : lmp
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IMPLICIT NONE
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REAL(c_double) :: f_lammps_get_thermo_vol
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f_lammps_get_thermo_vol = lmp%get_thermo('vol')
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END FUNCTION f_lammps_get_thermo_vol
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FUNCTION f_lammps_get_thermo_lx() BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY: c_double
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USE liblammps
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USE keepstuff, ONLY : lmp
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IMPLICIT NONE
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REAL(c_double) :: f_lammps_get_thermo_lx
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f_lammps_get_thermo_lx = lmp%get_thermo('lx')
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END FUNCTION f_lammps_get_thermo_lx
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FUNCTION f_lammps_get_thermo_ly() BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY: c_double
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USE liblammps
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USE keepstuff, ONLY : lmp
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IMPLICIT NONE
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REAL(c_double) :: f_lammps_get_thermo_ly
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f_lammps_get_thermo_ly = lmp%get_thermo('ly')
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END FUNCTION f_lammps_get_thermo_ly
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FUNCTION f_lammps_get_thermo_lz() BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY: c_double
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USE liblammps
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USE keepstuff, ONLY : lmp
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IMPLICIT NONE
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REAL(c_double) :: f_lammps_get_thermo_lz
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f_lammps_get_thermo_lz = lmp%get_thermo('lz')
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END FUNCTION f_lammps_get_thermo_lz
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FUNCTION f_lammps_get_thermo_xlo() BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY: c_double
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USE liblammps
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USE keepstuff, ONLY : lmp
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IMPLICIT NONE
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REAL(c_double) :: f_lammps_get_thermo_xlo
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f_lammps_get_thermo_xlo = lmp%get_thermo('xlo')
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END FUNCTION f_lammps_get_thermo_xlo
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FUNCTION f_lammps_get_thermo_xhi() BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY: c_double
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USE liblammps
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USE keepstuff, ONLY : lmp
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IMPLICIT NONE
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REAL(c_double) :: f_lammps_get_thermo_xhi
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f_lammps_get_thermo_xhi = lmp%get_thermo('xhi')
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END FUNCTION f_lammps_get_thermo_xhi
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FUNCTION f_lammps_get_thermo_ylo() BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY: c_double
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USE liblammps
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USE keepstuff, ONLY : lmp
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IMPLICIT NONE
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REAL(c_double) :: f_lammps_get_thermo_ylo
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f_lammps_get_thermo_ylo = lmp%get_thermo('ylo')
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END FUNCTION f_lammps_get_thermo_ylo
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FUNCTION f_lammps_get_thermo_yhi() BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY: c_double
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USE liblammps
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USE keepstuff, ONLY : lmp
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IMPLICIT NONE
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REAL(c_double) :: f_lammps_get_thermo_yhi
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f_lammps_get_thermo_yhi = lmp%get_thermo('yhi')
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END FUNCTION f_lammps_get_thermo_yhi
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FUNCTION f_lammps_get_thermo_zlo() BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY: c_double
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USE liblammps
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USE keepstuff, ONLY : lmp
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IMPLICIT NONE
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REAL(c_double) :: f_lammps_get_thermo_zlo
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f_lammps_get_thermo_zlo = lmp%get_thermo('zlo')
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END FUNCTION f_lammps_get_thermo_zlo
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FUNCTION f_lammps_get_thermo_zhi() BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY: c_double
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USE liblammps
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USE keepstuff, ONLY : lmp
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IMPLICIT NONE
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REAL(c_double) :: f_lammps_get_thermo_zhi
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f_lammps_get_thermo_zhi = lmp%get_thermo('zhi')
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END FUNCTION f_lammps_get_thermo_zhi
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