mirror of https://github.com/lammps/lammps.git
Made spacing consistent; added IMPLICIT NONE where it was not implied already and removed it where it was redundant
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@ -112,6 +112,7 @@ MODULE LIBLAMMPS
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INTERFACE
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FUNCTION lammps_open(argc, argv, comm) BIND(C,name='lammps_open_fortran')
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IMPORT :: c_ptr, c_int
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IMPLICIT NONE
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INTEGER(c_int), VALUE, INTENT(IN) :: argc, comm
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TYPE(c_ptr), DIMENSION(*), INTENT(IN) :: argv
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TYPE(c_ptr) :: lammps_open
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@ -119,6 +120,7 @@ MODULE LIBLAMMPS
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FUNCTION lammps_open_no_mpi(argc, argv, handle) BIND(C)
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IMPORT :: c_ptr, c_int
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IMPLICIT NONE
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INTEGER(c_int), VALUE, INTENT(IN) :: argc
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TYPE(c_ptr), DIMENSION(*), INTENT(IN) :: argv
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TYPE(c_ptr), VALUE, INTENT(in) :: handle
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@ -127,6 +129,7 @@ MODULE LIBLAMMPS
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SUBROUTINE lammps_close(handle) BIND(C)
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IMPORT :: c_ptr
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IMPLICIT NONE
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TYPE(c_ptr), VALUE :: handle
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END SUBROUTINE lammps_close
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@ -141,18 +144,21 @@ MODULE LIBLAMMPS
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SUBROUTINE lammps_file(handle, filename) BIND(C)
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IMPORT :: c_ptr
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IMPLICIT NONE
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TYPE(c_ptr), VALUE :: handle
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TYPE(c_ptr), VALUE :: filename
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END SUBROUTINE lammps_file
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SUBROUTINE lammps_command(handle, cmd) BIND(C)
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IMPORT :: c_ptr
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IMPLICIT NONE
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TYPE(c_ptr), VALUE :: handle
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TYPE(c_ptr), VALUE :: cmd
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END SUBROUTINE lammps_command
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SUBROUTINE lammps_commands_list(handle, ncmd, cmds) BIND(C)
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IMPORT :: c_ptr, c_int
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IMPLICIT NONE
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TYPE(c_ptr), VALUE :: handle
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INTEGER(c_int), VALUE, INTENT(IN) :: ncmd
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TYPE(c_ptr), DIMENSION(*), INTENT(IN) :: cmds
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@ -160,12 +166,14 @@ MODULE LIBLAMMPS
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SUBROUTINE lammps_commands_string(handle, str) BIND(C)
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IMPORT :: c_ptr
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IMPLICIT NONE
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TYPE(c_ptr), VALUE :: handle
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TYPE(c_ptr), VALUE :: str
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END SUBROUTINE lammps_commands_string
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FUNCTION lammps_get_natoms(handle) BIND(C)
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IMPORT :: c_ptr, c_double
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IMPLICIT NONE
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TYPE(c_ptr), VALUE :: handle
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REAL(c_double) :: lammps_get_natoms
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END FUNCTION lammps_get_natoms
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@ -179,19 +187,19 @@ MODULE LIBLAMMPS
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END FUNCTION lammps_get_thermo
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SUBROUTINE lammps_extract_box(handle,boxlo,boxhi,xy,yz,xz,pflags, &
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boxflag) BIND(C)
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IMPORT :: c_ptr, c_double, c_int
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IMPLICIT NONE
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TYPE(c_ptr), VALUE :: handle, boxlo, boxhi, xy, yz, xz, pflags, &
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boxflag
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boxflag) BIND(C)
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IMPORT :: c_ptr, c_double, c_int
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IMPLICIT NONE
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TYPE(c_ptr), VALUE :: handle, boxlo, boxhi, xy, yz, xz, pflags, &
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boxflag
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END SUBROUTINE lammps_extract_box
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SUBROUTINE lammps_reset_box(handle,boxlo,boxhi,xy,yz,xz) BIND(C)
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IMPORT :: c_ptr, c_double
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IMPLICIT NONE
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TYPE (c_ptr), VALUE :: handle
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REAL (c_double), DIMENSION(3) :: boxlo, boxhi
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REAL (c_double), VALUE :: xy, yz, xz
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TYPE(c_ptr), VALUE :: handle
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REAL(c_double), DIMENSION(3) :: boxlo, boxhi
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REAL(c_double), VALUE :: xy, yz, xz
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END SUBROUTINE lammps_reset_box
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SUBROUTINE lammps_memory_usage(handle,meminfo) BIND(C)
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@ -204,22 +212,22 @@ MODULE LIBLAMMPS
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FUNCTION lammps_get_mpi_comm(handle) BIND(C)
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IMPORT :: c_ptr, c_int
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IMPLICIT NONE
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TYPE (c_ptr), VALUE :: handle
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INTEGER (c_int) :: lammps_get_mpi_comm
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TYPE(c_ptr), VALUE :: handle
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INTEGER c_int) :: lammps_get_mpi_comm
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END FUNCTION lammps_get_mpi_comm
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FUNCTION lammps_extract_setting(handle,keyword) BIND(C)
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IMPORT :: c_ptr, c_int
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IMPLICIT NONE
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TYPE(c_ptr), VALUE :: handle, keyword
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INTEGER (c_int) :: lammps_extract_setting
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INTEGER(c_int) :: lammps_extract_setting
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END FUNCTION lammps_extract_setting
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FUNCTION lammps_extract_global_datatype(handle,name) BIND(C)
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IMPORT :: c_ptr, c_int
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IMPLICIT NONE
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TYPE(c_ptr), VALUE :: handle, name
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INTEGER (c_int) :: lammps_extract_global_datatype
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INTEGER(c_int) :: lammps_extract_global_datatype
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END FUNCTION lammps_extract_global_datatype
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FUNCTION c_strlen (str) BIND(C,name='strlen')
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@ -231,6 +239,7 @@ MODULE LIBLAMMPS
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FUNCTION lammps_extract_global(handle, name) BIND(C)
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IMPORT :: c_ptr
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IMPLICIT NONE
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TYPE(c_ptr), VALUE :: handle, name
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TYPE(c_ptr) :: lammps_extract_global
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END FUNCTION lammps_extract_global
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@ -327,12 +336,14 @@ MODULE LIBLAMMPS
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FUNCTION lammps_malloc(size) BIND(C, name='malloc')
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IMPORT :: c_ptr, c_size_t
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IMPLICIT NONE
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INTEGER(c_size_t), VALUE :: size
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TYPE(c_ptr) :: lammps_malloc
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END FUNCTION lammps_malloc
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SUBROUTINE lammps_free(ptr) BIND(C)
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IMPORT :: c_ptr
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IMPLICIT NONE
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TYPE(c_ptr), VALUE :: ptr
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END SUBROUTINE lammps_free
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@ -352,7 +363,6 @@ CONTAINS
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! Constructor for the LAMMPS class.
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! Combined wrapper around lammps_open_fortran() and lammps_open_no_mpi()
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TYPE(lammps) FUNCTION lmp_open(args, comm)
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IMPLICIT NONE
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INTEGER, INTENT(in), OPTIONAL :: comm
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CHARACTER(LEN=*), INTENT(IN), OPTIONAL :: args(:)
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TYPE(c_ptr), ALLOCATABLE :: argv(:)
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@ -387,7 +397,6 @@ CONTAINS
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! Combined Fortran wrapper around lammps_close() and lammps_mpi_finalize()
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SUBROUTINE lmp_close(self, finalize)
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IMPLICIT NONE
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CLASS(lammps) :: self
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LOGICAL, INTENT(IN), OPTIONAL :: finalize
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@ -403,7 +412,6 @@ CONTAINS
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! equivalent function to lammps_file()
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SUBROUTINE lmp_file(self, filename)
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IMPLICIT NONE
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CLASS(lammps) :: self
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CHARACTER(len=*) :: filename
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TYPE(c_ptr) :: str
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@ -415,7 +423,6 @@ CONTAINS
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! equivalent function to lammps_command()
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SUBROUTINE lmp_command(self, cmd)
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IMPLICIT NONE
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CLASS(lammps) :: self
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CHARACTER(len=*) :: cmd
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TYPE(c_ptr) :: str
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@ -427,7 +434,6 @@ CONTAINS
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! equivalent function to lammps_commands_list()
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SUBROUTINE lmp_commands_list(self, cmds)
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IMPLICIT NONE
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CLASS(lammps) :: self
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CHARACTER(len=*), INTENT(in), OPTIONAL :: cmds(:)
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TYPE(c_ptr), ALLOCATABLE :: cmdv(:)
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@ -451,7 +457,6 @@ CONTAINS
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! equivalent function to lammps_commands_string()
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SUBROUTINE lmp_commands_string(self, str)
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IMPLICIT NONE
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CLASS(lammps) :: self
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CHARACTER(len=*) :: str
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TYPE(c_ptr) :: tmp
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@ -463,7 +468,6 @@ CONTAINS
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! equivalent function to lammps_get_natoms
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DOUBLE PRECISION FUNCTION lmp_get_natoms(self)
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IMPLICIT NONE
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CLASS(lammps) :: self
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lmp_get_natoms = lammps_get_natoms(self%handle)
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@ -623,7 +627,6 @@ CONTAINS
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! equivalent function to lammps_version()
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INTEGER FUNCTION lmp_version(self)
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IMPLICIT NONE
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CLASS(lammps) :: self
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lmp_version = lammps_version(self%handle)
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