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Remove unused variables, fix compiler warnings, and standardize constants for -pedantic builds #626

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Merged
johanneshofmann87 merged 17 commits into from
Jun 3, 2026
Merged

Remove unused variables, fix compiler warnings, and standardize constants for -pedantic builds #626

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95e9251
removing unused variables and take care of other warnings triggered b…
johanneshofmann87 Apr 1, 2026
8601be0
Update Prog/udv_state_mod.F90
johanneshofmann87 Apr 1, 2026
a6443c8
Add comments explaining INTENT(INOUT) for pointer targets in observab…
Copilot Apr 1, 2026
50ebe21
Merge branch 'master' into 625-pedantic-compiler-warnings
johanneshofmann87 Apr 3, 2026
3dd086f
Define pi and some accurences of Zero as constants
jonasschwab Apr 3, 2026
586c2d0
Remove unused variables in Libraries/Modules/entanglement_mod.F90 and…
jonasschwab Apr 3, 2026
beff85d
Remove further unused variables
jonasschwab Apr 3, 2026
cd2b216
Refactor constants in codebase to use Natural_Constants module
johanneshofmann87 Apr 7, 2026
81e7e68
Remove unused pi imports from Natural_Constants in 7 files
Copilot Apr 7, 2026
bb8977f
configure.sh DEVEL: Compile with -pedantic -Werror except for libqrre…
jonasschwab Apr 30, 2026
a688b1e
Fix compilation of entanglement_mod
jonasschwab Apr 30, 2026
3cf8574
Merge branch 'master' into 625-pedantic-compiler-warnings
johanneshofmann87 May 5, 2026
9506fd5
Hop_mod: Remove unused variable 'Zero'
jonasschwab May 5, 2026
63d6f14
Hop_mod: Remove unused module 'Natural_Constants'
jonasschwab May 5, 2026
72c6b3c
Merge branch 'master' into 625-pedantic-compiler-warnings
johanneshofmann87 Jun 3, 2026
c3688eb
fix another constant (1.d-12 to ems_machine) introduced by merge
johanneshofmann87 Jun 3, 2026
929e152
fix tests (pi now imported via maxent wrapper module)
johanneshofmann87 Jun 3, 2026
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15 changes: 7 additions & 8 deletions Analysis/Max_SAC.F90
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Expand Up @@ -42,6 +42,7 @@ Program MaxEnt_Wrapper
!
!--------------------------------------------------------------------
Use runtime_error_mod
Use Natural_Constants, only: pi, Eps_small
Use MaxEnt_stoch_mod
Use MaxEnt_mod
use MaxEnt_Wrapper_mod
Expand All @@ -56,10 +57,10 @@ Program MaxEnt_Wrapper
Real (Kind=Kind(0.d0)), Dimension(:) , allocatable :: XQMC, XQMC_st, XTAU, Xtau_st, &
& Alpha_tot, om_bf, alp_bf, xom, A
Real (Kind=Kind(0.d0)), Dimension(:,:), allocatable :: XCOV, XCOV_st
Real (Kind=Kind(0.d0)) :: X_moments(2), Xerr_moments(2), ChiSq
Real (Kind=Kind(0.d0)) :: ChiSq
Character (Len=64) :: command, File1, File2
Complex (Kind=Kind(0.d0)) :: Z
Logical :: Test =.false.
Logical, parameter :: Test =.false.


Integer :: Ngamma, Ndis, NBins, NSweeps, Nwarm, N_alpha, N_cov
Expand All @@ -73,9 +74,10 @@ Program MaxEnt_Wrapper
Real (Kind=Kind(0.d0)), allocatable :: Xker_classic(:,:), A_classic(:), Default(:)

Integer :: nt, nt1, io_error, n,nw, nwp, ntau, N_alpha_1, i, nbin_qmc
Integer :: ntau_st, ntau_en, ntau_new, Ntau_old
Real (Kind=Kind(0.d0)) :: dtau, pi, xmom1, x,x1,x2, tau, omp, om, Beta,err, delta, Dom
Real (Kind=Kind(0.d0)) :: Zero, Alpha_classic_st=100000.d0
Integer :: ntau_st, ntau_en, Ntau_old
Real (Kind=Kind(0.d0)) :: dtau, xmom1, x,x1,x2, tau, omp, om, Beta,err, delta, Dom
Real (Kind=Kind(0.d0)), parameter :: Zero = Eps_small
Real (Kind=Kind(0.d0)) :: Alpha_classic_st=100000.d0
Integer :: N_BZ_Zones = 1
Logical :: Extended_Zone = .false.

Expand Down Expand Up @@ -159,8 +161,6 @@ Program MaxEnt_Wrapper
Write(50,13) "Alpha_st",alpha_st
Write(50,13) "R", R
endif
Zero= 1.D-10
pi = acos(-1.d0)
Ntau_st = 1
Ntau_en = Ntau
Select Case (str_to_upper(Channel))
Expand Down Expand Up @@ -420,7 +420,6 @@ Program MaxEnt_Wrapper

! Compute the real frequency Green function.
delta = Dom
pi = acos(-1.d0)
x = 0.d0
x1 = 0.d0
x2 = 0.d0
Expand Down
2 changes: 1 addition & 1 deletion Analysis/ana_hdf5.F90
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Expand Up @@ -48,7 +48,7 @@ Program ana_hdf5
#endif
implicit none
Integer :: i, hdferr, nargs, storage_type, nlinks, max_corder
Character (len=64) :: File_out, File_in, name
Character (len=64) :: File_in, name
Character (len=64), allocatable :: names(:)
INTEGER(HID_T) :: file_id, group_id
INTEGER(HSIZE_T) :: n
Expand Down
32 changes: 15 additions & 17 deletions Analysis/ana_mod.F90
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Expand Up @@ -38,6 +38,7 @@ module ana_mod
!> Collection of routines for postprocessing the Monte Carlo bins
!
!--------------------------------------------------------------------
Use Natural_Constants, only: Eps_small, Eps_convergence
use iso_fortran_env, only: output_unit, error_unit
use Files_mod
Use Errors
Expand Down Expand Up @@ -171,9 +172,8 @@ Subroutine read_vec_hdf5(filename, groupname, sgn, bins, analysis_mode)

Character (len=64) :: file, obs_dsetname, sgn_dsetname
INTEGER :: rank, hdferr
INTEGER(HSIZE_T) :: mem_dims(1)
INTEGER(HSIZE_T), allocatable :: dims(:), maxdims(:)
INTEGER(HID_T) :: file_id, dset_id, dataspace, memspace
INTEGER(HID_T) :: file_id, dset_id, dataspace
TYPE(C_PTR) :: dat_ptr

file = 'data.h5'
Expand Down Expand Up @@ -267,7 +267,7 @@ Subroutine read_local(file, sgn, bins, Latt, Latt_unit, dtau, Channel)

Character (len=64) :: file_aux, str_temp1, str_temp2
Integer, allocatable :: List(:,:), Invlist(:,:) ! For orbital structure of Unit cell
Integer :: no, no1, n, nt, nb, Ntau, Ndim, Nbins, stat, Ndim_unit
Integer :: no, n, nt, nb, Ntau, Ndim, Nbins, stat, Ndim_unit
Real(Kind=Kind(0.d0)) :: X
Real(Kind=Kind(0.d0)), allocatable :: Xr_p(:,:), Orb_pos_temp(:)
Real(Kind=Kind(0.d0)) :: x_p(2), a1_p(2), a2_p(2), L1_p(2), L2_p(2)
Expand Down Expand Up @@ -1051,11 +1051,11 @@ Subroutine ana_tau(name_obs, sgn, bins_raw, bins0_raw, Latt, Latt_unit, dtau, Ch

Logical :: PartHole, L_Back, Extended_Zone
Character (len=64) :: File_out, command, xk1_str, xk2_str
Real (Kind=Kind(0.d0)), parameter :: Zero=1.D-8
Real (Kind=Kind(0.d0)), parameter :: Zero=Eps_small
Integer :: N_skip, N_rebin, N_Cov, N_Back, N_auto, N_BZ_Zones
Integer :: Nbins, LT, Lt_eff, n_mk
Integer :: nb, no, no1, no2, n,i, nt, nt1, ierr, Norb, NBZ_1, NBZ_2
Complex (Kind=Kind(0.d0)) :: Z, Zmean, Zerr
Complex (Kind=Kind(0.d0)) :: Z
Real (Kind=Kind(0.d0)), allocatable :: Phase(:)
Complex (Kind=Kind(0.d0)), allocatable :: V_help_loc(:,:,:,:), Bins_help(:,:,:,:)
Real (Kind=Kind(0.d0)), allocatable :: Xk_p(:,:), Xk_p1(:), Xk_extended_p(:), X
Expand Down Expand Up @@ -1156,8 +1156,7 @@ Subroutine ana_tau(name_obs, sgn, bins_raw, bins0_raw, Latt, Latt_unit, dtau, Ch
Xk_Extended_p(:) = Xk_p(:,n) + NBZ_1 * Latt%BZ1_p + NBZ_2 * Latt%BZ2_p
if ( Xk_Extended_p(1) >= -zero .and. XK_Extended_p(2) >= -zero ) then
L_back = .false.
if ( sqrt(Xk_extended_p(1)**2 + Xk_extended_p(2)**2) < 1.D-6 .and. N_Back == 1 ) L_back = .true.
! Set weights
if ( sqrt(Xk_extended_p(1)**2 + Xk_extended_p(2)**2) < Eps_convergence .and. N_Back == 1 ) L_back = .true.
If (Extended_Zone) then
do no = 1,Norb
X = 0.d0
Expand Down Expand Up @@ -1263,7 +1262,7 @@ Subroutine ana_tau(name_obs, sgn, bins_raw, bins0_raw, Latt, Latt_unit, dtau, Ch
enddo
if (PartHole) V_help_suscep = V_help_suscep * cmplx(2.d0,0.d0,Kind(0.d0))
L_back = .false.
if ( sqrt(Xk_p(1,n)**2 + Xk_p(2,n)**2) < 1.D-6 .and. N_Back == 1 ) L_back = .true.
if ( sqrt(Xk_p(1,n)**2 + Xk_p(2,n)**2) < Eps_convergence .and. N_Back == 1 ) L_back = .true.
call COV(V_help_suscep, phase, Xcov, Xmean, background, L_back, N_rebin, Weights )
Xmean_st(n) = Xmean(1)*dtau
Xerr_st(n) = Sqrt(Xcov(1,1))*dtau
Expand Down Expand Up @@ -1333,12 +1332,11 @@ Subroutine ana_local(name, sgn, bins_raw, Latt, Latt_unit)
Integer :: N_skip, N_rebin, N_Cov, N_Back, N_auto
Integer :: Nbins, N_BZ_Zones
Logical :: Extended_Zone
Integer :: i, n, nb, no, no1, ierr
Integer :: n, nb, no, ierr
Complex (Kind=Kind(0.d0)), allocatable :: Phase(:)
Complex (Kind=Kind(0.d0)), allocatable :: V_help(:)
Real (Kind=Kind(0.d0)) :: Xr_p(2)
Complex (Kind=Kind(0.d0)) :: Z, Xmean, Xerr, Xmean_r, Xerr_r
Real (Kind=Kind(0.d0)) :: Xm,Xe
Complex (Kind=Kind(0.d0)) :: Xmean, Xerr

NAMELIST /VAR_errors/ N_skip, N_rebin, N_Cov, N_Back, N_auto, N_BZ_Zones, Extended_Zone

Expand Down Expand Up @@ -1542,7 +1540,7 @@ Subroutine ana_eq(name, sgn, bins_raw, bins0_raw, Latt, Latt_unit)
do n = 1, Latt%N
Xk_Extended_p(:) = Xk_p_s(:,n) + NBZ_1 * Latt%BZ1_p + NBZ_2 * Latt%BZ2_p
L_back = .false.
if ( sqrt(Xk_Extended_p(1)**2 + Xk_Extended_p(2)**2) < 1.D-6 .and. N_Back == 1 ) L_back = .true.
if ( sqrt(Xk_Extended_p(1)**2 + Xk_Extended_p(2)**2) < Eps_convergence .and. N_Back == 1 ) L_back = .true.
do no = 1,Latt_unit%Norb
X = 0.d0
do i = 1,size(Latt%BZ1_p,1)
Expand Down Expand Up @@ -1575,7 +1573,7 @@ Subroutine ana_eq(name, sgn, bins_raw, bins0_raw, Latt, Latt_unit)
do nb = 1,Nbins
V_help(1,nb) = bins (n,nb)%el(no,no1)
enddo
if ( sqrt(Xk_p(1)**2 + Xk_p(2)**2) < 1.D-6 ) then
if ( sqrt(Xk_p(1)**2 + Xk_p(2)**2) < Eps_convergence ) then
do nb = 1,Nbins
V_help(2,nb) = Bins0(nb,no)*Latt%N
V_help(3,nb) = Bins0(nb,no1)
Expand Down Expand Up @@ -1865,7 +1863,7 @@ subroutine write_obs_vec_hdf5(filename, groupname, sgn, bins, analysis_mode)

Integer :: Nobs, Nbins

INTEGER :: i, ierr
INTEGER :: ierr
Character (len=64) :: obs_dsetname, sgn_dsetname
INTEGER(HID_T) :: file_id, group_id
logical :: file_exists, link_exists
Expand Down Expand Up @@ -1981,7 +1979,7 @@ subroutine write_obs_latt_hdf5(filename, groupname, sgn, bins, bins0, Latt, Latt

Integer :: Norb, Nunit, Ntau, Nbins

INTEGER :: i, ierr
INTEGER :: ierr
Character (len=64) :: obs_dsetname, bak_dsetname, sgn_dsetname
INTEGER(HID_T) :: file_id, group_id
logical :: file_exists, link_exists
Expand Down Expand Up @@ -2107,8 +2105,8 @@ subroutine write_obs_local_hdf5(filename, groupname, sgn, bins, Latt, Latt_unit,

Integer :: Norb, Nunit, Ntau, Nbins

INTEGER :: i, ierr
Character (len=64) :: obs_dsetname, bak_dsetname, sgn_dsetname
INTEGER :: ierr
Character (len=64) :: obs_dsetname, sgn_dsetname
INTEGER(HID_T) :: file_id, group_id
logical :: file_exists, link_exists
INTEGER(HSIZE_T), allocatable :: dims(:)
Expand Down
12 changes: 4 additions & 8 deletions Analysis/cov_eq.F90
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Expand Up @@ -54,16 +54,15 @@ Program Cov_eq


Integer :: Nunit, Norb, ierr
Integer :: no, no1, n, n1,m, nbins, n_skip, nb, N_rebin, N_cov, N_Back
Integer :: no, no1, n, m, nbins, n_skip, nb, N_rebin, N_cov, N_Back
real (Kind=Kind(0.d0)):: X, Y
Complex (Kind=Kind(0.d0)), allocatable :: Phase(:)
Type (Mat_C), allocatable :: Bins (:,:), Bins_R(:,:)
Complex (Kind=Kind(0.d0)), allocatable :: Bins0(:,:)
Complex (Kind=Kind(0.d0)) :: Z, Xmean,Xerr, Xmean_r, Xerr_r
Real (Kind=Kind(0.d0)) :: Xm,Xe
Real (Kind=Kind(0.d0)) :: Xk_p(2), XR_p(2) , XR1_p(2)
Complex (Kind=Kind(0.d0)), allocatable :: V_help(:), V_help_R(:)
Real (Kind=Kind(0.d0)) :: Pi, a1_p(2), a2_p(2), L1_p(2), L2_p(2), del_p(2)
Real (Kind=Kind(0.d0)) :: Xk_p(2), XR_p(2)
Complex (Kind=Kind(0.d0)), allocatable :: V_help(:)
Real (Kind=Kind(0.d0)), allocatable :: AutoCorr(:),En(:)

Integer :: L1, L2, I, N_auto, Ndim
Expand All @@ -73,7 +72,6 @@ Program Cov_eq
Type(Unit_cell) :: Latt_Unit
Character (len=64) :: File_out


NAMELIST /VAR_Lattice/ L1, L2, Lattice_type, Model

NAMELIST /VAR_errors/ n_skip, N_rebin, N_Cov, N_Back, N_auto
Expand Down Expand Up @@ -101,7 +99,6 @@ Program Cov_eq


! Determine the number of bins.
Pi = acos(-1.d0)
Open ( Unit=10, File="ineq", status="unknown" )
nbins = 0
do
Expand Down Expand Up @@ -131,7 +128,7 @@ Program Cov_eq
endif

! Allocate space
Allocate ( bins(Nunit,Nbins), bins_r(Nunit,Nbins), Phase(Nbins), V_help(Nbins), V_help_R(Nbins), Bins0(Nbins,Norb))
Allocate ( bins(Nunit,Nbins), bins_r(Nunit,Nbins), Phase(Nbins), V_help(Nbins), Bins0(Nbins,Norb))
Do n = 1,Nunit
do nb = 1,nbins
Call Make_Mat(bins (n,nb),Norb)
Expand Down Expand Up @@ -294,7 +291,6 @@ end Program Cov_eq
!!$ Integer :: m
!!$
!!$ Zero = 1.D-4
!!$ pi = acos(-1.d0)
!!$ X1_p(1) = Xk_p(2,n)
!!$ X1_p(2) = -Xk_p(1,n)
!!$ if (X1_p(1) < -pi + Zero ) X1_p(1) = X1_p(1) + 2.0*pi
Expand Down
10 changes: 5 additions & 5 deletions Analysis/cov_tau.F90
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Expand Up @@ -42,6 +42,7 @@ Program Cov_tau
Use Errors
Use MyMats
Use Matrix
Use Natural_Constants, only: Eps_small
use iso_fortran_env, only: output_unit, error_unit
#ifdef _OPENMP
use check_omp_num_threads_mod
Expand All @@ -53,11 +54,11 @@ Program Cov_tau
Integer :: Nunit, Norb, N_auto
Integer :: no, no1, n, nbins, n_skip, nb, NT, NT1, Lt, N_rebin, N_cov, ierr, N_Back
Integer :: Lt_eff
real (Kind=Kind(0.d0)):: X, Y, dtau, X_diag
real (Kind=Kind(0.d0)):: X, Y, dtau
Complex (Kind=Kind(0.d0)), allocatable :: Xmean(:), Xcov(:,:)
Complex (Kind=Kind(0.d0)) :: Zmean, Zerr
Complex (Kind=Kind(0.d0)) :: Z, Z_diag
Real (Kind=Kind(0.d0)) :: Zero=1.D-8
Real (Kind=Kind(0.d0)), parameter :: Zero=Eps_small
Real (Kind=Kind(0.d0)), allocatable :: Phase(:)
Complex (Kind=Kind(0.d0)), allocatable :: PhaseI(:)
Complex (Kind=Kind(0.d0)), allocatable :: Bins(:,:,:), Bins_chi(:,:), OneBin(:,:,:)
Expand Down Expand Up @@ -309,11 +310,10 @@ end Program Cov_tau
!!$ Real (Kind=Kind(0.d0)), INTENT(IN) :: Xk_p(2,Nunit)
!!$
!!$ !Local
!!$ real (Kind=Kind(0.d0)) :: X1_p(2), Zero, pi, X
!!$ real (Kind=Kind(0.d0)) :: X1_p(2), X
!!$ real (Kind=Kind(0.d0)), parameter :: Zero = 1.D-4, pi = acos(-1.d0)
!!$ Integer :: m
!!$
!!$ Zero = 1.D-4
!!$ pi = acos(-1.d0)
!!$ X1_p(1) = Xk_p(2,n)
!!$ X1_p(2) = -Xk_p(1,n)
!!$ if (X1_p(1) < -pi + Zero ) X1_p(1) = X1_p(1) + 2.0*pi
Expand Down
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