Linter fixes (adding intent attributes mostly)

src/remd.F90

@@ -48,12 +48,15 @@ subroutine remd_swap(x, y, z, px, py, pz, fxc, fyc, fzc, eclas)
       real(DP), intent(inout) :: fxc(:, :), fyc(:, :), fzc(:, :)
       real(DP), intent(inout) :: eclas
       real(DP) :: eclas_new, prob, probs(MAX_REPLICA), ran(MAX_REPLICA), rn
-      integer :: source, ierr, tag_en = 10, tag_swap = 1
+      integer, parameter :: tag_en = 10, tag_swap = 1
+      integer :: source, ierr
       integer :: status(MPI_STATUS_SIZE), i
       integer :: my_rank
-      logical :: lswap = .false., lswaps(MAX_REPLICA)
+      logical :: lswap, lswaps(MAX_REPLICA)
       character(len=100) :: formt
 
+      lswap = .false.
+
       ! Broadcast array of random numbers from rank 0
       my_rank = get_mpi_rank()
       if (my_rank == 0) call vranf(ran, nreplica - 1)
@@ -147,9 +150,9 @@ subroutine swap_replicas(x, y, z, px, py, pz, fxc, fyc, fzc, rank1, rank2)
       integer :: status(MPI_STATUS_SIZE)
       integer :: my_rank
 
-      integer :: tag_x = 11, tag_y = 12, tag_z = 13
-      integer :: tag_px = 114, tag_py = 115, tag_pz = 116
-      integer :: tag_fx = 17, tag_fy = 18, tag_fz = 19
+      integer, parameter :: tag_x = 11, tag_y = 12, tag_z = 13
+      integer, parameter :: tag_px = 114, tag_py = 115, tag_pz = 116
+      integer, parameter :: tag_fx = 17, tag_fy = 18, tag_fz = 19
       integer :: ierr, dest, size1, size2, irank
 
       my_rank = get_mpi_rank()

src/sh_integ.F90

@@ -38,6 +38,7 @@ module mod_sh_integ
    abstract interface
       subroutine sh_integrator(en_array_int, en_array_newint, dotproduct_int, dotproduct_newint, dtp)
          import :: DP
+         implicit none
          ! Interpolated potential energies
          real(DP), intent(in), dimension(:) :: en_array_int, en_array_newint
          ! Interpolated dotproduct = nacm x velocity

src/shake.F90

@@ -25,7 +25,7 @@ subroutine find_hbonds(x, y, z, num_shake)
 
       ! DH fixed threshold for now, we should make it a parameter
       ! Or determine bonds in a better way
-      hbond_len_thr = 2.0 * ANG
+      hbond_len_thr = 2.0_DP * ANG
       ! Here we assume that each H atom has a single bond
       num_shake = count_atoms_by_name(names, 'H', natom)
       ! TODO: Not sure about this, but shake does not
@@ -76,8 +76,8 @@ end subroutine find_hbonds
 
    subroutine shake_init(x, y, z)
       use mod_files, only: stdout
-      real(DP) x(:, :), y(:, :), z(:, :)
-      real(DP) xi, yi, zi, xj, yj, zj
+      real(DP), intent(in) :: x(:, :), y(:, :), z(:, :)
+      real(DP) :: xi, yi, zi, xj, yj, zj
       integer :: ixshake, i, j
 
       write (stdout, *) 'Setting distances for SHAKE from XYZ coordinates'

src/surfacehop.F90

@@ -201,7 +201,7 @@ end subroutine print_sh_input
    subroutine set_current_state(current_state)
       integer, intent(in) :: current_state
       istate = current_state
-   end subroutine
+   end subroutine set_current_state
 
    subroutine check_sh_parameters()
       use mod_utils, only: int_positive, int_nonnegative, int_switch, real_nonnegative

src/tera_mpi_api.F90

@@ -47,7 +47,7 @@ module mod_terampi
    subroutine initialize_terachem_interface(tc_server_name)
       use mod_general, only: nwalk, iremd
       use mod_mpi, only: get_mpi_rank
-      character(len=*) :: tc_server_name
+      character(len=*), intent(in) :: tc_server_name
       integer :: i, ierr
 
       if (nwalk > 1) then

src/utils.F90

@@ -28,10 +28,9 @@ end function get_distance
    real(DP) function get_angle(x, y, z, at1, at2, at3, iw) result(angle)
       use mod_const, only: PI
       real(DP), intent(in) :: x(:, :), y(:, :), z(:, :)
-      integer, intent(in) :: iw
+      integer, intent(in) :: at1, at2, at3, iw
       real(DP) :: vec1x, vec1y, vec1z
       real(DP) :: vec2x, vec2y, vec2z
-      integer :: at1, at2, at3
 
       if (at1 == at2 .or. at1 == at3 .or. at2 == at3) then
          angle = 0
@@ -53,12 +52,11 @@ end function get_angle
    real(DP) function get_dihedral(x, y, z, at1, at2, at3, at4, iw, shiftdih)
       use mod_const, only: PI
       real(DP), intent(in) :: x(:, :), y(:, :), z(:, :), shiftdih
-      integer, intent(in) :: iw
+      integer, intent(in) :: at1, at2, at3, at4, iw
       real(DP) :: vec1x, vec1y, vec1z
       real(DP) :: vec2x, vec2y, vec2z
       real(DP) :: vec3x, vec3y, vec3z, sign
       real(DP) :: norm1x, norm1y, norm1z, norm2x, norm2y, norm2z
-      integer :: at1, at2, at3, at4
 
       vec1x = x(at1, iw) - x(at2, iw)
       vec1y = y(at1, iw) - y(at2, iw)
@@ -269,7 +267,7 @@ subroutine file_exists_or_exit(fname)
    end subroutine file_exists_or_exit
 
    integer function open_file_for_reading(fname) result(un)
-      character(len=*) :: fname
+      character(len=*), intent(in) :: fname
       character(300) :: errmsg
       integer :: iost
 
@@ -281,7 +279,6 @@ integer function open_file_for_reading(fname) result(un)
    end function open_file_for_reading
 
    real(DP) function ekin_p(px, py, pz, mass, natom, nwalk)
-      implicit none
       real(DP), dimension(:, :), intent(in) :: px, py, pz
       real(DP), dimension(:, :), intent(in) :: mass
       integer, intent(in) :: natom, nwalk
@@ -349,7 +346,7 @@ end subroutine int_switch
    subroutine milisleep(milisec)
       use, intrinsic :: iso_c_binding, only: C_INT, C_INT32_T
       use mod_interfaces, only: usleep
-      integer :: milisec
+      integer, intent(in) :: milisec
       integer(kind=C_INT32_T) :: usec
       integer(kind=C_INT) :: c_err
 

src/vinit.F90

@@ -37,13 +37,14 @@ module mod_vinit
 ! Adapted (real(DP), no angular velocities, mass)   B. Schmidt, Apr 6, 1995
 !
 !------------------------------------------------------------------------
-   subroutine vinit(TEMP, MASS, vx, vy, vz)
+   subroutine vinit(temp, mass, vx, vy, vz)
       use mod_general, only: natom, nwalk
       use mod_random, only: gautrg
-      real(DP), intent(out) :: vx(:, :), vy(:, :), vz(:, :)
+      real(DP), intent(in) :: temp
       real(DP), intent(in) :: mass(:)
+      real(DP), intent(out) :: vx(:, :), vy(:, :), vz(:, :)
       real(DP) :: rans(3 * size(mass))
-      real(DP) :: TEMP, SIGMA
+      real(DP) :: sigma
       integer :: iw, iat, pom
 
       do iw = 1, nwalk
@@ -264,7 +265,7 @@ subroutine calc_inertia_tensor(x, y, z, masses, iw, I)
       real(DP), intent(in) :: x(:, :), y(:, :), z(:, :)
       real(DP), intent(in) :: masses(:)
       integer, intent(in) :: iw ! Bead index
-      real(DP) :: I(0:8)
+      real(DP), intent(out) :: I(0:8)
       real(DP) :: xx, xy, xz, yy, yz, zz
       integer :: iat
 

src/water.F90

@@ -10,7 +10,7 @@ subroutine check_water(natom, names)
       use mod_error, only: fatal_error
       use mod_utils, only: count_atoms_by_name
       integer, intent(in) :: natom
-      character(len=2) :: names(:)
+      character(len=2), intent(in) :: names(:)
       integer :: nH, nO
       integer :: error, iat