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SUBROUTINE f_lammps_memory_usage(meminfo) BIND(C)
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double
USE liblammps
USE keepstuff, ONLY : lmp
IMPLICIT NONE
REAL(c_double), DIMENSION(3), INTENT(OUT) :: meminfo
CALL lmp%memory_usage(meminfo)
END SUBROUTINE f_lammps_memory_usage
FUNCTION f_lammps_get_mpi_comm() BIND(C)
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int
USE liblammps
USE keepstuff, ONLY : lmp
IMPLICIT NONE
INTEGER(c_int) :: f_lammps_get_mpi_comm
f_lammps_get_mpi_comm = lmp%get_mpi_comm()
END FUNCTION f_lammps_get_mpi_comm
FUNCTION f_lammps_extract_setting(Cstr) BIND(C)
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int, c_char, c_null_char
USE keepstuff, ONLY : lmp
USE LIBLAMMPS
IMPLICIT NONE
INTEGER(c_int) :: f_lammps_extract_setting
CHARACTER(KIND=c_char, LEN=1), DIMENSION(*), INTENT(IN) :: Cstr
INTEGER :: strlen, i
CHARACTER(LEN=:), ALLOCATABLE :: Fstr
i = 1
DO WHILE (Cstr(i) /= c_null_char)
i = i + 1
END DO
strlen = i
ALLOCATE(CHARACTER(LEN=strlen) :: Fstr)
DO i = 1, strlen
Fstr(i:i) = Cstr(i)
END DO
f_lammps_extract_setting = lmp%extract_setting(Fstr)
DEALLOCATE(Fstr)
END FUNCTION f_lammps_extract_setting
FUNCTION f_lammps_has_error() BIND(C)
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int
USE keepstuff, ONLY : lmp
USE LIBLAMMPS
IMPLICIT NONE
INTEGER(c_int) :: f_lammps_has_error
IF (lmp%has_error()) THEN
f_lammps_has_error = 1_c_int
ELSE
f_lammps_has_error = 0_c_int
END IF
END FUNCTION f_lammps_has_error
FUNCTION f_lammps_get_last_error_message(errmesg, errlen) BIND(C)
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int, c_char, c_ptr, C_F_POINTER, &
c_null_char
USE keepstuff, ONLY : lmp
USE LIBLAMMPS
IMPLICIT NONE
INTEGER(c_int) :: f_lammps_get_last_error_message
CHARACTER(KIND=c_char), DIMENSION(*) :: errmesg
INTEGER(c_int), VALUE, INTENT(IN) :: errlen
CHARACTER(LEN=:), ALLOCATABLE :: buffer
INTEGER :: status, i
! copy error message to buffer
ALLOCATE(CHARACTER(errlen) :: buffer)
CALL lmp%get_last_error_message(buffer, status)
f_lammps_get_last_error_message = status
! and copy to C style string
errmesg(1:errlen) = c_null_char
DO i=1, errlen
errmesg(i) = buffer(i:i)
IF (buffer(i:i) == c_null_char) EXIT
END DO
errmesg(errlen) = c_null_char
DEALLOCATE(buffer)
END FUNCTION f_lammps_get_last_error_message
FUNCTION f_lammps_get_image_flags_int(ix, iy, iz) BIND(C)
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int
USE keepstuff, ONLY : lmp
USE LIBLAMMPS
IMPLICIT NONE
INTEGER(c_int), INTENT(IN), VALUE :: ix, iy, iz
INTEGER(c_int) :: f_lammps_get_image_flags_int
f_lammps_get_image_flags_int = lmp%encode_image_flags(ix, iy, iz)
END FUNCTION f_lammps_get_image_flags_int
FUNCTION f_lammps_get_image_flags_bigint(ix, iy, iz) BIND(C)
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int, c_int64_t
USE keepstuff, ONLY : lmp
USE LIBLAMMPS
IMPLICIT NONE
INTEGER(c_int), INTENT(IN), VALUE :: ix, iy, iz
INTEGER(c_int64_t) :: f_lammps_get_image_flags_bigint
f_lammps_get_image_flags_bigint = lmp%encode_image_flags(ix, iy, iz)
END FUNCTION f_lammps_get_image_flags_bigint
SUBROUTINE f_lammps_decode_image_flags(image, flag) BIND(C)
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int
USE keepstuff, ONLY : lmp
USE LIBLAMMPS
IMPLICIT NONE
INTEGER(c_int), INTENT(IN), VALUE :: image
INTEGER(c_int), INTENT(OUT) :: flag(3)
CALL lmp%decode_image_flags(image, flag)
END SUBROUTINE f_lammps_decode_image_flags
SUBROUTINE f_lammps_decode_image_flags_bigbig(image, flag) BIND(C)
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int, c_int64_t
USE keepstuff, ONLY : lmp
USE LIBLAMMPS
IMPLICIT NONE
INTEGER(c_int64_t), INTENT(IN), VALUE :: image
INTEGER(c_int), INTENT(OUT) :: flag(3)
CALL lmp%decode_image_flags(image, flag)
END SUBROUTINE f_lammps_decode_image_flags_bigbig
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