diff --git a/source/KKRnano/source/ProcessKKRresults_mod.F90 b/source/KKRnano/source/ProcessKKRresults_mod.F90
index e003281c0999576bb9a7fb78f8f451e0edcfdfb8..3b8f4f5d82db9c1b80e99310d44633cb788b7b21 100644
--- a/source/KKRnano/source/ProcessKKRresults_mod.F90
+++ b/source/KKRnano/source/ProcessKKRresults_mod.F90
@@ -76,7 +76,7 @@ module ProcessKKRresults_mod
call calculateDensities(iter, calc, mp, dims, params, program_timer, arrays, emesh)
if (params%noncobfield) then
- call update_constraint_fields(iter, calc, params)
+ call update_constraining_fields(iter, calc, params)
end if
! write to 'results1' - only to be read in in results.f
@@ -1021,8 +1021,8 @@ module ProcessKKRresults_mod
endsubroutine ! calculatePotentials
- !> Iterate the selfconsistency cycle of the constraint magnetic fields.
- subroutine update_constraint_fields(iter, calc, params)
+ !> Iterate the selfconsistency cycle of the constraining magnetic fields.
+ subroutine update_constraining_fields(iter, calc, params)
use CalculationData_mod, only: CalculationData
use InputParams_mod, only: InputParams
@@ -1131,7 +1131,7 @@ module ProcessKKRresults_mod
reclen = max(reclen, 4*8 + 1*1 + 3*8)
end if
if (noncobfield) then
- ! The constraint bfields (from this and from last iteration), torques,
+ ! The constraining bfields (from this and from last iteration), torques,
! and moments before fixing directions (each double(3))
recnum = recnum + 1
reclen = max(reclen, (3+3+3+3)*8)
@@ -1683,10 +1683,10 @@ module ProcessKKRresults_mod
F89="(' Change of angle phi (deg) = ',f12.6)", &
F81="(' Largest torque for atom = ',i5.1)", &
F82="(' Largest torque magnitude [Ry] = ',E12.6)", &
- F83="(' Largest change of angle for constraint moment at atom = ', i5)", &
- F84="(' Largest change of angle for constraint moment (deg) = ', f10.6)", &
- F85="(' Largest change in constraint field at atom = ', i5)", &
- F80="(' Largest change in constraint field (Ry) = ', e10.4)", &
+ F83="(' Largest change of angle for constrained moment at atom = ', i5)", &
+ F84="(' Largest change of angle for constrained moment (deg) = ', f10.6)", &
+ F85="(' Largest change in constraining field at atom = ', i5)", &
+ F80="(' Largest change in constraining field (Ry) = ', e10.4)", &
F94="(4X,'nuclear charge ',F10.6,9X,'core charge = ',F10.6)"
integer :: npotd
@@ -1755,7 +1755,7 @@ module ProcessKKRresults_mod
end do
end if
- ! Third loop: Calculate nonco and constraint bfields stuff, write files
+ ! Third loop: Calculate nonco and constraining bfields stuff, write files
! (no output to stdout)
if (korbit > 0) then
open(13,file='nonco_angle_out.dat',form='formatted')
@@ -1824,7 +1824,7 @@ module ProcessKKRresults_mod
! Only for atoms with constraining fields
if (angle_fix_mode >= 2) then
- ! Look for largest angle change of constraint moment
+ ! Look for largest angle change of constrained moment
! Calculate local frame of reference direction
dir(1) = sin(theta_noco)*cos(phi_noco)
dir(2) = sin(theta_noco)*sin(phi_noco)
diff --git a/source/KKRnano/source/bfield/bfield.f90 b/source/KKRnano/source/bfield/bfield.f90
index 6076fbb99de51446fab7c08dec9ca23ec3a17e55..1bf846ca769d9d79fe19a375dc470a4afbc67179 100644
--- a/source/KKRnano/source/bfield/bfield.f90
+++ b/source/KKRnano/source/bfield/bfield.f90
@@ -34,7 +34,7 @@ module mod_bfield
double precision, dimension(3) :: bfield_constr !! constraining field in cartesian coordinates
double precision, dimension(3) :: last_bfield_constr !! constraining field of last iteration
- ! Torque and other information used to update the constraints fields
+ ! Torque and other information used to update the constraining fields
double precision, dimension(3) :: mag_torque !! Magnetic torque
double precision, dimension(3) :: mag_mom !! Magnetic moment
double precision :: mean_xc_bfield !! Mean magnitude of xc bfield
@@ -151,14 +151,14 @@ contains
stop
end if
- ! In case constraint magnetism is not used for this atom, set the initial
+ ! In case constrained magnetism is not used for this atom, set the initial
! guess to zero. Will not be updated in that case and can be added to the
! potential without further checking on input parameters.
! If an initial guess was provided that is not zero, give a warning.
if (.not. (fix_angle_modes(iatom) == 2 .or. fix_angle_modes(iatom) == 3)) then
if (any(bfields(iatom)%bfield_constr /= 0) .and. verbosity >= 0) then
- write(*,'(2A,I3,2A)') 'Warning: Initial guess for constraint magnetic field ', &
- 'for atom ', iatom, ' was not zero, but no constraint magnetism is ', &
+ write(*,'(2A,I3,2A)') 'Warning: Initial guess for constraining magnetic field ', &
+ 'for atom ', iatom, ' was not zero, but no constrained magnetism is ', &
'used for this atom. Will be set to zero.'
end if
bfields(iatom)%bfield_constr(:) = 0
@@ -293,7 +293,7 @@ contains
!> Author: Sascha Brinker, Nicolas Essing
!>
!> The field is added to the potential in LL' expansion. Both the external and
- !> the constraint field are added, if they are activated.
+ !> the constraining field are added, if they are activated.
!> The potential is updated as H = H - sigma * B with sigma the vector of
!> pauli matrices and B the combined bfield.
!>------------------------------------------------------------------------------
@@ -325,7 +325,7 @@ contains
lmmax = size(bfield%thetallmat, 1) ! size(vnspll, 1) is 2*lmmax
irmd = size(vnspll, 3)
- ! Add external and constraint field. If one of them is tured off by input
+ ! Add external and constraining field. If one of them is tured off by input
! parameters or mode, it is zero, so this distinction does not have to be
! done here.
combined_bfields(:) = bfield%bfield_ext(:) + bfield%bfield_constr(:)
diff --git a/source/KKRnano/source/bfield/torque.f90 b/source/KKRnano/source/bfield/torque.f90
index 48b4af1fd7b2fe114bec1493787620446405553f..a3e7cf635b7128d0193ba9826200e876d6adebd0 100644
--- a/source/KKRnano/source/bfield/torque.f90
+++ b/source/KKRnano/source/bfield/torque.f90
@@ -158,7 +158,7 @@ contains
end subroutine calc_torque
- !> Iterate the constraint magnetic fields for one atom.
+ !> Iterate the constraining magnetic fields for one atom.
!> Based on the torque and magnetic moment calculated together with the
!> densities and saved in the bfield_data type.
subroutine constraining_fields_scf_cycle(bfield, constr_mode, theta, phi, &
diff --git a/source/KKRnano/source/datastructures/InputParamsNew.txt b/source/KKRnano/source/datastructures/InputParamsNew.txt
index 270644bc175e16ef8dd968a0d4961f5e09a8ba2d..fa82a61c179f6e309cfa48e676f0a659d684eddd 100644
--- a/source/KKRnano/source/datastructures/InputParamsNew.txt
+++ b/source/KKRnano/source/datastructures/InputParamsNew.txt
@@ -132,7 +132,7 @@ l external_bfield .FALSE.
l trans_bfield .FALSE.
### [bfields] apply magnetic field only in the muffin-tin (called lbfield_mt in KKRhost code)
l mt_bfield .FALSE.
-### [bfields] mixing parameter for the selfconsistency of the constraint magnetic fields
+### [bfields] mixing parameter for the selfconsistency of the constraining magnetic fields
d constr_bfield_mixing 0.9
### [bfields] start applying magnetic field at iteration (called ibfield_itscf0 in KKRhost code)
i itbfield0 0
diff --git a/source/KKRnano/source/datastructures/NonCollinearMagnetismData_mod.F90 b/source/KKRnano/source/datastructures/NonCollinearMagnetismData_mod.F90
index 102594c4ffbe662f6875d1d32cd77bd33276df60..697f7bbdf8ff3fdac34e74e14b9eebf81c7dafa8 100644
--- a/source/KKRnano/source/datastructures/NonCollinearMagnetismData_mod.F90
+++ b/source/KKRnano/source/datastructures/NonCollinearMagnetismData_mod.F90
@@ -20,7 +20,7 @@ module NonCollinearMagnetismData_mod
double precision, allocatable :: phi_noco(:) !< non-collinear magnetism angle, WARNING: not synchronized between MPI threads
double precision, allocatable :: theta_noco_old(:) !< non-collinear magnetism angle from iteration before, WARNING: not synchronized between MPI threads
double precision, allocatable :: phi_noco_old(:) !< non-collinear magnetism angle from iteration before, WARNING: not synchronized between MPI threads
- integer (kind=1), allocatable :: angle_fix_mode(:) !< keep angles fixed (1,2,3) or not (0), using constraint magnetic fields (2,3) with a
+ integer (kind=1), allocatable :: angle_fix_mode(:) !< keep angles fixed (1,2,3) or not (0), using constraining magnetic fields (2,3) with a
!< selfconsistency cycle (2) or to cancel the torque (3) WARNING: not synchronized between MPI threads
double precision, allocatable :: moment_x(:) !< non-collinear magnetism moment in x-direction, WARNING: not synchronized between MPI threads
double precision, allocatable :: moment_y(:) !< non-collinear magnetism moment in x-direction, WARNING: not synchronized between MPI threads