From 128265a983249541b27d0c7b9a7199e972f10124 Mon Sep 17 00:00:00 2001
From: kamischi <karl-michael.schindler@web.de>
Date: Thu, 25 Apr 2024 11:56:06 +0200
Subject: [PATCH] move debug from inside of doeels to calling code
---
source/Lazarus-GUI/UEELSBoson.pas | 3 +++
source/Lazarus-GUI/UMainForm.pas | 3 ++-
source/f90/INSTALL | 2 +-
source/f90/doeels.f90 | 7 ++++---
source/f90/eels-boson.f90 | 3 ++-
source/f90/eels.f90 | 4 +++-
source/f90/fcat-analysis/eels_all.f90 | 10 ++++++----
.../f90/fcat-analysis/eels_all.f90.fcat-analysis.f90 | 8 +++++---
.../f90/fcat-analysis/eels_all.f90.fcat-analysis.txt | 10 ++++++----
tests/phintlog/doeels.f90 | 6 +++---
tests/phintlog/eels.f90 | 4 +++-
11 files changed, 38 insertions(+), 22 deletions(-)
diff --git a/source/Lazarus-GUI/UEELSBoson.pas b/source/Lazarus-GUI/UEELSBoson.pas
index 7d5b64d..234ef30 100644
--- a/source/Lazarus-GUI/UEELSBoson.pas
+++ b/source/Lazarus-GUI/UEELSBoson.pas
@@ -12,6 +12,7 @@ type
// Fortran equivalents
Finteger = int32;
Fdouble = double;
+ Flogical = boolean;
Fosc_array = array[1..3] of Fdouble;
var
@@ -40,6 +41,7 @@ var
Control: string;
Mode: string;
Wn_Array: array of Fdouble;
+ Debug: Flogical;
F_Array: array of Fdouble;
// for Boson
TargetTemperature: Fdouble;
@@ -71,6 +73,7 @@ procedure doeels(var e0: Fdouble;
var contrl: string;
var mode: string;
var wn_array: array of Fdouble;
+ var debug: Flogical;
var f_array: array of Fdouble;
var size_wn_array: Finteger);
cdecl; external name 'doeels_';
diff --git a/source/Lazarus-GUI/UMainForm.pas b/source/Lazarus-GUI/UMainForm.pas
index 7cb8873..827972c 100644
--- a/source/Lazarus-GUI/UMainForm.pas
+++ b/source/Lazarus-GUI/UMainForm.pas
@@ -599,7 +599,7 @@ begin
IntervalWMin, IntervalWMax, IntervalWDelta, Comment1, Comment1_length,
NumberOfLayers, NumberOfEpsilons, NumberOfPeriodic, LayerName, LayerName_length,
Thickness, Epsilon, NumberOfOscillators, Oscillator, Oscillator_length,
- Control, Mode, Wn_Array, F_Array, IntervalNW);
+ Control, Mode, Wn_Array, Debug, F_Array, IntervalNW);
doboson(TargetTemperature, InstrumentalWidth, GaussianFraction, Asymmetry, EMin, EMax,
IntervalWMin, IntervalWMax, IntervalNW, F_Array, xout, yout, nout);
@@ -653,6 +653,7 @@ begin
IntervalNW := 1 + round((IntervalWMax - IntervalWMin) / IntervalWDelta);
setlength(Wn_Array, IntervalNW);
setlength(F_Array, IntervalNW);
+ Debug := false;
Control := ' ';
Mode := ' ';
diff --git a/source/f90/INSTALL b/source/f90/INSTALL
index 627fc19..6f9f3fd 100644
--- a/source/f90/INSTALL
+++ b/source/f90/INSTALL
@@ -26,7 +26,7 @@ Example:
>>> import doeels
>>> print(doeels.doeels.__doc__)
-doeels(e0,theta,phia,phib,wmin,wmax,dw,comment,layers,neps,nper,name,thick,epsinf,nos,osc,contrl,mode,wn_array,f_array,[comment_size,name_size,osc_size,wn_array_size])
+doeels(e0,theta,phia,phib,wmin,wmax,dw,comment,layers,neps,nper,name,thick,epsinf,nos,osc,contrl,mode,wn_array,debug,f_array,[comment_size,name_size,osc_size,wn_array_size])
Wrapper for ``doeels``.
diff --git a/source/f90/doeels.f90 b/source/f90/doeels.f90
index 533d1bd..40f39fb 100644
--- a/source/f90/doeels.f90
+++ b/source/f90/doeels.f90
@@ -2,7 +2,7 @@ module mod_doeels
contains
subroutine doeels (e0, theta, phia, phib, wmin, wmax, dw, comment, comment_size, &
layers, neps, nper, name, name_size, thick, epsinf, nos, osc, osc_size,&
- contrl, mode, wn_array, f_array, wn_array_size)
+ contrl, mode, wn_array, debug, f_array, wn_array_size)
! ******************************************************************
! * *
@@ -29,6 +29,7 @@ subroutine doeels (e0, theta, phia, phib, wmin, wmax, dw, comment, comment_size,
! * contrl: 'image' for image-charge screening *
! * mode: 'kurosawa' for kurosawa model *
! * wn_array: frequencies *
+! * debug: logical *
! * f_array: spectrum *
! * wn_array_size: number of frequencies *
! * *
@@ -50,8 +51,9 @@ subroutine doeels (e0, theta, phia, phib, wmin, wmax, dw, comment, comment_size,
integer, intent(in) :: comment_size, name_size, osc_size, wn_array_size
integer, intent(in out) :: layers, nper, nos(name_size)
double precision, intent(in out) :: wn_array(wn_array_size), f_array(wn_array_size)
+ logical, intent(in), optional :: debug
- logical :: rational, user, debug
+ logical :: rational, user
integer :: i, iw, neps, nofu, nout, nw, lmax
double precision :: a, acoef, aerr, alpha, argmin, argmax, b, bcoef, beta, &
c1, c2, ccoef, cospsi, dlimf, dx, elleps, ener, epsmac, facru, f, f0, &
@@ -68,7 +70,6 @@ subroutine doeels (e0, theta, phia, phib, wmin, wmax, dw, comment, comment_size,
data aerr / 0.0d0 /, rerr / 1.0d-06 /, f / 0.0d0 /, f1 / 0.0d0 /
- debug = .false.
if (debug) then
write (*,*) 'doeels:'
write (*,*) 'comment: ', size(comment)
diff --git a/source/f90/eels-boson.f90 b/source/f90/eels-boson.f90
index 2da9ecd..3c5363a 100644
--- a/source/f90/eels-boson.f90
+++ b/source/f90/eels-boson.f90
@@ -145,9 +145,10 @@ program eels_boson
nw = 1 + int((wmax - wmin) / dw)
allocate (wn_array(nw), f(nw))
+ debug = .false.
call doeels(e0, theta, phia, phib, wmin, wmax, dw, comment, size(comment), &
layers, neps, nper, name, size(name), thick, epsinf, nos, osc, size(osc, 2),&
- contrl, mode, wn_array, f, size(wn_array))
+ contrl, mode, wn_array, debug, f, size(wn_array))
open(unit = 13, file = bosin_name)
! target temperature (Kelvin)
diff --git a/source/f90/eels.f90 b/source/f90/eels.f90
index ae45580..85c9105 100644
--- a/source/f90/eels.f90
+++ b/source/f90/eels.f90
@@ -23,6 +23,7 @@ program eels
integer :: old_size_1, old_size_2
double precision, allocatable :: tmp_osc(:, :)
+ logical :: debug
integer :: ioStatus
! integer, parameter :: name_length = 10
@@ -129,9 +130,10 @@ program eels
nw = 1 + int((wmax - wmin) / dw)
allocate (wn_array(nw), f(nw))
+ debug = .false.
call doeels(e0, theta, phia, phib, wmin, wmax, dw, comment, size(comment), &
layers, neps, nper, name, size(name), thick, epsinf, nos, osc, size(osc, 2),&
- contrl, mode, wn_array, f, size(wn_array))
+ contrl, mode, wn_array, debug, f, size(wn_array))
open (unit = 12, file = 'eelsou')
write (12, 207) e0, theta, phia, phib
diff --git a/source/f90/fcat-analysis/eels_all.f90 b/source/f90/fcat-analysis/eels_all.f90
index 99598ed..9374255 100644
--- a/source/f90/fcat-analysis/eels_all.f90
+++ b/source/f90/fcat-analysis/eels_all.f90
@@ -23,6 +23,7 @@ program eels
integer :: old_size_1, old_size_2
double precision, allocatable :: tmp_osc(:, :)
+ logical :: debug
integer :: ioStatus
! integer, parameter :: name_length = 10
@@ -129,9 +130,10 @@ program eels
nw = 1 + int((wmax - wmin) / dw)
allocate (wn_array(nw), f(nw))
+ debug = .false.
call doeels(e0, theta, phia, phib, wmin, wmax, dw, comment, size(comment), &
layers, neps, nper, name, size(name), thick, epsinf, nos, osc, size(osc, 2),&
- contrl, mode, wn_array, f, size(wn_array))
+ contrl, mode, wn_array, debug, f, size(wn_array))
open (unit = 12, file = 'eelsou')
write (12, 207) e0, theta, phia, phib, comment(1)
@@ -1082,7 +1084,7 @@ end subroutine seteps
subroutine doeels (e0, theta, phia, phib, wmin, wmax, dw, comment, comment_size, &
layers, neps, nper, name, name_size, thick, epsinf, nos, osc, osc_size,&
- contrl, mode, wn_array, f_array, wn_array_size)
+ contrl, mode, wn_array, debug, f_array, wn_array_size)
! ******************************************************************
! * *
@@ -1104,8 +1106,9 @@ subroutine doeels (e0, theta, phia, phib, wmin, wmax, dw, comment, comment_size,
integer, intent(in) :: comment_size, name_size, osc_size, wn_array_size
integer, intent(in out) :: layers, nper, nos(name_size)
double precision, intent(in out) :: wn_array(wn_array_size), f_array(wn_array_size)
+ logical, intent(in), optional :: debug
- logical :: rational, user, debug
+ logical :: rational, user
integer :: i, iw, neps, nofu, nout, nw, lmax
double precision :: a, acoef, aerr, alpha, argmin, argmax, b, bcoef, beta, &
c1, c2, ccoef, cospsi, dlimf, dx, elleps, ener, epsmac, facru, f, f0, &
@@ -1163,7 +1166,6 @@ subroutine doeels (e0, theta, phia, phib, wmin, wmax, dw, comment, comment_size,
data aerr / 0.0d0 /, rerr / 1.0d-06 /, f / 0.0d0 /, f1 / 0.0d0 /
- debug = .false.
if (debug) then
write (*,*) 'doeels:'
write (*,*) 'comment: ', size(comment)
diff --git a/source/f90/fcat-analysis/eels_all.f90.fcat-analysis.f90 b/source/f90/fcat-analysis/eels_all.f90.fcat-analysis.f90
index a276938..4fde649 100644
--- a/source/f90/fcat-analysis/eels_all.f90.fcat-analysis.f90
+++ b/source/f90/fcat-analysis/eels_all.f90.fcat-analysis.f90
@@ -23,6 +23,7 @@ program eels
integer :: old_size_1, old_size_2
double precision, allocatable :: tmp_osc(:, :)
+ logical :: debug
integer :: ioStatus
! integer, parameter :: name_length = 10
@@ -129,6 +130,7 @@ program eels
1 nw = 1 + int((wmax - wmin) / dw)
1 allocate (wn_array(nw), f(nw))
+1 debug = .false.
1 call doeels(e0, theta, phia, phib, wmin, wmax, dw, comment, size(comment), &
layers, neps, nper, name, size(name), thick, epsinf, nos, osc, size(osc, 2),&
contrl, mode, wn_array, f, size(wn_array))
@@ -1082,7 +1084,7 @@ end subroutine seteps
subroutine doeels (e0, theta, phia, phib, wmin, wmax, dw, comment, comment_size, &
layers, neps, nper, name, name_size, thick, epsinf, nos, osc, osc_size,&
- contrl, mode, wn_array, f_array, wn_array_size)
+ contrl, mode, wn_array, debug, f_array, wn_array_size)
! ******************************************************************
! * *
@@ -1104,8 +1106,9 @@ subroutine doeels (e0, theta, phia, phib, wmin, wmax, dw, comment, comment_size,
integer, intent(in) :: comment_size, name_size, osc_size, wn_array_size
integer, intent(in out) :: layers, nper, nos(name_size)
double precision, intent(in out) :: wn_array(wn_array_size), f_array(wn_array_size)
+ logical, intent(in), optional :: debug
- logical :: rational, user, debug
+ logical :: rational, user
integer :: i, iw, neps, nofu, nout, nw, lmax
double precision :: a, acoef, aerr, alpha, argmin, argmax, b, bcoef, beta, &
c1, c2, ccoef, cospsi, dlimf, dx, elleps, ener, epsmac, facru, f, f0, &
@@ -1163,7 +1166,6 @@ subroutine doeels (e0, theta, phia, phib, wmin, wmax, dw, comment, comment_size,
data aerr / 0.0d0 /, rerr / 1.0d-06 /, f / 0.0d0 /, f1 / 0.0d0 /
-1 debug = .false.
1 if (debug) then
*> write (*,*) 'doeels:'
*> write (*,*) 'comment: ', size(comment)
diff --git a/source/f90/fcat-analysis/eels_all.f90.fcat-analysis.txt b/source/f90/fcat-analysis/eels_all.f90.fcat-analysis.txt
index 1feb9ef..dda7d14 100644
--- a/source/f90/fcat-analysis/eels_all.f90.fcat-analysis.txt
+++ b/source/f90/fcat-analysis/eels_all.f90.fcat-analysis.txt
@@ -23,6 +23,7 @@ program eels
integer :: old_size_1, old_size_2
double precision, allocatable :: tmp_osc(:, :)
+ logical :: debug
integer :: ioStatus
! integer, parameter :: name_length = 10
@@ -129,9 +130,10 @@ program eels
1 nw = 1 + int((wmax - wmin) / dw)
1 allocate (wn_array(nw), f(nw))
+1 debug = .false.
1 call doeels(e0, theta, phia, phib, wmin, wmax, dw, comment, size(comment), &
layers, neps, nper, name, size(name), thick, epsinf, nos, osc, size(osc, 2),&
- contrl, mode, wn_array, f, size(wn_array))
+ contrl, mode, wn_array, debug, f, size(wn_array))
1 open (unit = 12, file = 'eelsou')
1 write (12, 207) e0, theta, phia, phib, comment(1)
@@ -1072,7 +1074,7 @@ subroutine seteps(neps, nos, osc, epsinf, wn, name, eps, layers, mode)
end subroutine seteps
subroutine doeels (e0, theta, phia, phib, wmin, wmax, dw, comment, comment_size, &
layers, neps, nper, name, name_size, thick, epsinf, nos, osc, osc_size,&
- contrl, mode, wn_array, f_array, wn_array_size)
+ contrl, mode, wn_array, debug, f_array, wn_array_size)
! ******************************************************************
! * *
@@ -1094,8 +1096,9 @@ subroutine doeels (e0, theta, phia, phib, wmin, wmax, dw, comment, comment_size,
integer, intent(in) :: comment_size, name_size, osc_size, wn_array_size
integer, intent(in out) :: layers, nper, nos(name_size)
double precision, intent(in out) :: wn_array(wn_array_size), f_array(wn_array_size)
+ logical, intent(in), optional :: debug
- logical :: rational, user, debug
+ logical :: rational, user
integer :: i, iw, neps, nofu, nout, nw, lmax
double precision :: a, acoef, aerr, alpha, argmin, argmax, b, bcoef, beta, &
c1, c2, ccoef, cospsi, dlimf, dx, elleps, ener, epsmac, facru, f, f0, &
@@ -1153,7 +1156,6 @@ subroutine doeels (e0, theta, phia, phib, wmin, wmax, dw, comment, comment_size,
data aerr / 0.0d0 /, rerr / 1.0d-06 /, f / 0.0d0 /, f1 / 0.0d0 /
-1 debug = .false.
1 if (debug) then
*> write (*,*) 'doeels:'
*> write (*,*) 'comment: ', size(comment)
diff --git a/tests/phintlog/doeels.f90 b/tests/phintlog/doeels.f90
index 2ca42d3..366a2ff 100644
--- a/tests/phintlog/doeels.f90
+++ b/tests/phintlog/doeels.f90
@@ -1,6 +1,6 @@
subroutine doeels (e0, theta, phia, phib, wmin, wmax, dw, comment, comment_size, &
layers, neps, nper, name, name_size, thick, epsinf, nos, osc, osc_size,&
- contrl, mode, wn_array, f_array, wn_array_size)
+ contrl, mode, wn_array, debug, f_array, wn_array_size)
! ******************************************************************
! * *
@@ -48,8 +48,9 @@ subroutine doeels (e0, theta, phia, phib, wmin, wmax, dw, comment, comment_size,
integer, intent(in) :: comment_size, name_size, osc_size, wn_array_size
integer, intent(in out) :: layers, nper, nos(name_size)
double precision, intent(in out) :: wn_array(wn_array_size), f_array(wn_array_size)
+ logical, intent(in), optional :: debug
- logical :: rational, user, debug
+ logical :: rational, user
integer :: i, iw, neps, nofu, nout, nw, lmax
double precision :: a, acoef, aerr, alpha, argmin, argmax, b, bcoef, beta, &
c1, c2, ccoef, cospsi, dlimf, dx, elleps, ener, epsmac, facru, f, f0, &
@@ -66,7 +67,6 @@ subroutine doeels (e0, theta, phia, phib, wmin, wmax, dw, comment, comment_size,
data aerr / 0.0d0 /, rerr / 1.0d-06 /, f / 0.0d0 /, f1 / 0.0d0 /
- debug = .false.
if (debug) then
write (*,*) 'doeels:'
write (*,*) 'comment: ', size(comment)
diff --git a/tests/phintlog/eels.f90 b/tests/phintlog/eels.f90
index f2a80cf..396fde2 100644
--- a/tests/phintlog/eels.f90
+++ b/tests/phintlog/eels.f90
@@ -23,6 +23,7 @@ program eels
integer :: old_size_1, old_size_2
double precision, allocatable :: tmp_osc(:, :)
+ logical :: debug
integer :: ioStatus
! integer, parameter :: name_length = 10
@@ -132,9 +133,10 @@ program eels
nw = 1 + int((wmax - wmin) / dw)
allocate (wn_array(nw), f(nw))
+ debug = .false.
call doeels(e0, theta, phia, phib, wmin, wmax, dw, comment, size(comment), &
layers, neps, nper, name, size(name), thick, epsinf, nos, osc, size(osc, 2),&
- contrl, mode, wn_array, f, size(wn_array))
+ contrl, mode, wn_array, debug, f, size(wn_array))
open (unit = 12, file = 'eelsou')
write (12, 207) e0, theta, phia, phib
--
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