Made spacing consistent; added IMPLICIT NONE where it was not implied already and removed it where it was redundant

This commit is contained in:
Karl Hammond 2022-08-12 11:43:21 -05:00
parent c2ded124a5
commit c6972d483f
1 changed files with 23 additions and 20 deletions

View File

@ -112,6 +112,7 @@ MODULE LIBLAMMPS
INTERFACE
FUNCTION lammps_open(argc, argv, comm) BIND(C,name='lammps_open_fortran')
IMPORT :: c_ptr, c_int
IMPLICIT NONE
INTEGER(c_int), VALUE, INTENT(IN) :: argc, comm
TYPE(c_ptr), DIMENSION(*), INTENT(IN) :: argv
TYPE(c_ptr) :: lammps_open
@ -119,6 +120,7 @@ MODULE LIBLAMMPS
FUNCTION lammps_open_no_mpi(argc, argv, handle) BIND(C)
IMPORT :: c_ptr, c_int
IMPLICIT NONE
INTEGER(c_int), VALUE, INTENT(IN) :: argc
TYPE(c_ptr), DIMENSION(*), INTENT(IN) :: argv
TYPE(c_ptr), VALUE, INTENT(in) :: handle
@ -127,6 +129,7 @@ MODULE LIBLAMMPS
SUBROUTINE lammps_close(handle) BIND(C)
IMPORT :: c_ptr
IMPLICIT NONE
TYPE(c_ptr), VALUE :: handle
END SUBROUTINE lammps_close
@ -141,18 +144,21 @@ MODULE LIBLAMMPS
SUBROUTINE lammps_file(handle, filename) BIND(C)
IMPORT :: c_ptr
IMPLICIT NONE
TYPE(c_ptr), VALUE :: handle
TYPE(c_ptr), VALUE :: filename
END SUBROUTINE lammps_file
SUBROUTINE lammps_command(handle, cmd) BIND(C)
IMPORT :: c_ptr
IMPLICIT NONE
TYPE(c_ptr), VALUE :: handle
TYPE(c_ptr), VALUE :: cmd
END SUBROUTINE lammps_command
SUBROUTINE lammps_commands_list(handle, ncmd, cmds) BIND(C)
IMPORT :: c_ptr, c_int
IMPLICIT NONE
TYPE(c_ptr), VALUE :: handle
INTEGER(c_int), VALUE, INTENT(IN) :: ncmd
TYPE(c_ptr), DIMENSION(*), INTENT(IN) :: cmds
@ -160,12 +166,14 @@ MODULE LIBLAMMPS
SUBROUTINE lammps_commands_string(handle, str) BIND(C)
IMPORT :: c_ptr
IMPLICIT NONE
TYPE(c_ptr), VALUE :: handle
TYPE(c_ptr), VALUE :: str
END SUBROUTINE lammps_commands_string
FUNCTION lammps_get_natoms(handle) BIND(C)
IMPORT :: c_ptr, c_double
IMPLICIT NONE
TYPE(c_ptr), VALUE :: handle
REAL(c_double) :: lammps_get_natoms
END FUNCTION lammps_get_natoms
@ -179,19 +187,19 @@ MODULE LIBLAMMPS
END FUNCTION lammps_get_thermo
SUBROUTINE lammps_extract_box(handle,boxlo,boxhi,xy,yz,xz,pflags, &
boxflag) BIND(C)
IMPORT :: c_ptr, c_double, c_int
IMPLICIT NONE
TYPE(c_ptr), VALUE :: handle, boxlo, boxhi, xy, yz, xz, pflags, &
boxflag
boxflag) BIND(C)
IMPORT :: c_ptr, c_double, c_int
IMPLICIT NONE
TYPE(c_ptr), VALUE :: handle, boxlo, boxhi, xy, yz, xz, pflags, &
boxflag
END SUBROUTINE lammps_extract_box
SUBROUTINE lammps_reset_box(handle,boxlo,boxhi,xy,yz,xz) BIND(C)
IMPORT :: c_ptr, c_double
IMPLICIT NONE
TYPE (c_ptr), VALUE :: handle
REAL (c_double), DIMENSION(3) :: boxlo, boxhi
REAL (c_double), VALUE :: xy, yz, xz
TYPE(c_ptr), VALUE :: handle
REAL(c_double), DIMENSION(3) :: boxlo, boxhi
REAL(c_double), VALUE :: xy, yz, xz
END SUBROUTINE lammps_reset_box
SUBROUTINE lammps_memory_usage(handle,meminfo) BIND(C)
@ -204,22 +212,22 @@ MODULE LIBLAMMPS
FUNCTION lammps_get_mpi_comm(handle) BIND(C)
IMPORT :: c_ptr, c_int
IMPLICIT NONE
TYPE (c_ptr), VALUE :: handle
INTEGER (c_int) :: lammps_get_mpi_comm
TYPE(c_ptr), VALUE :: handle
INTEGER c_int) :: lammps_get_mpi_comm
END FUNCTION lammps_get_mpi_comm
FUNCTION lammps_extract_setting(handle,keyword) BIND(C)
IMPORT :: c_ptr, c_int
IMPLICIT NONE
TYPE(c_ptr), VALUE :: handle, keyword
INTEGER (c_int) :: lammps_extract_setting
INTEGER(c_int) :: lammps_extract_setting
END FUNCTION lammps_extract_setting
FUNCTION lammps_extract_global_datatype(handle,name) BIND(C)
IMPORT :: c_ptr, c_int
IMPLICIT NONE
TYPE(c_ptr), VALUE :: handle, name
INTEGER (c_int) :: lammps_extract_global_datatype
INTEGER(c_int) :: lammps_extract_global_datatype
END FUNCTION lammps_extract_global_datatype
FUNCTION c_strlen (str) BIND(C,name='strlen')
@ -231,6 +239,7 @@ MODULE LIBLAMMPS
FUNCTION lammps_extract_global(handle, name) BIND(C)
IMPORT :: c_ptr
IMPLICIT NONE
TYPE(c_ptr), VALUE :: handle, name
TYPE(c_ptr) :: lammps_extract_global
END FUNCTION lammps_extract_global
@ -327,12 +336,14 @@ MODULE LIBLAMMPS
FUNCTION lammps_malloc(size) BIND(C, name='malloc')
IMPORT :: c_ptr, c_size_t
IMPLICIT NONE
INTEGER(c_size_t), VALUE :: size
TYPE(c_ptr) :: lammps_malloc
END FUNCTION lammps_malloc
SUBROUTINE lammps_free(ptr) BIND(C)
IMPORT :: c_ptr
IMPLICIT NONE
TYPE(c_ptr), VALUE :: ptr
END SUBROUTINE lammps_free
@ -352,7 +363,6 @@ CONTAINS
! Constructor for the LAMMPS class.
! Combined wrapper around lammps_open_fortran() and lammps_open_no_mpi()
TYPE(lammps) FUNCTION lmp_open(args, comm)
IMPLICIT NONE
INTEGER, INTENT(in), OPTIONAL :: comm
CHARACTER(LEN=*), INTENT(IN), OPTIONAL :: args(:)
TYPE(c_ptr), ALLOCATABLE :: argv(:)
@ -387,7 +397,6 @@ CONTAINS
! Combined Fortran wrapper around lammps_close() and lammps_mpi_finalize()
SUBROUTINE lmp_close(self, finalize)
IMPLICIT NONE
CLASS(lammps) :: self
LOGICAL, INTENT(IN), OPTIONAL :: finalize
@ -403,7 +412,6 @@ CONTAINS
! equivalent function to lammps_file()
SUBROUTINE lmp_file(self, filename)
IMPLICIT NONE
CLASS(lammps) :: self
CHARACTER(len=*) :: filename
TYPE(c_ptr) :: str
@ -415,7 +423,6 @@ CONTAINS
! equivalent function to lammps_command()
SUBROUTINE lmp_command(self, cmd)
IMPLICIT NONE
CLASS(lammps) :: self
CHARACTER(len=*) :: cmd
TYPE(c_ptr) :: str
@ -427,7 +434,6 @@ CONTAINS
! equivalent function to lammps_commands_list()
SUBROUTINE lmp_commands_list(self, cmds)
IMPLICIT NONE
CLASS(lammps) :: self
CHARACTER(len=*), INTENT(in), OPTIONAL :: cmds(:)
TYPE(c_ptr), ALLOCATABLE :: cmdv(:)
@ -451,7 +457,6 @@ CONTAINS
! equivalent function to lammps_commands_string()
SUBROUTINE lmp_commands_string(self, str)
IMPLICIT NONE
CLASS(lammps) :: self
CHARACTER(len=*) :: str
TYPE(c_ptr) :: tmp
@ -463,7 +468,6 @@ CONTAINS
! equivalent function to lammps_get_natoms
DOUBLE PRECISION FUNCTION lmp_get_natoms(self)
IMPLICIT NONE
CLASS(lammps) :: self
lmp_get_natoms = lammps_get_natoms(self%handle)
@ -623,7 +627,6 @@ CONTAINS
! equivalent function to lammps_version()
INTEGER FUNCTION lmp_version(self)
IMPLICIT NONE
CLASS(lammps) :: self
lmp_version = lammps_version(self%handle)