From 1613d8cad7975a01c4fc6a720d06140a545fe491 Mon Sep 17 00:00:00 2001
From: kamischi <karl-michael.schindler@web.de>
Date: Fri, 23 Aug 2024 21:25:25 +0200
Subject: [PATCH] correct the index of the oscillators in the log
bug showed up with more than one layer
---
tests/SetEpsTestCasesFromScratch/f77/eels.for | 5 +++--
.../f77/epsLog/seteps001.log | Bin 15090 -> 15085 bytes
.../f77/epsLog/seteps004.log | Bin 15090 -> 15085 bytes
.../f77/epsLog/seteps006.log | Bin 24947 -> 24942 bytes
.../SetEpsTestCasesFromScratch/f90/doeels.f90 | 6 ++++--
.../f90/epsLog/seteps006.log | 2 +-
.../original/eels.for | 5 +++--
.../original/epsLog/seteps001.log | Bin 15090 -> 15085 bytes
.../original/epsLog/seteps004.log | Bin 15090 -> 15085 bytes
.../original/epsLog/seteps006.log | Bin 24947 -> 24942 bytes
10 files changed, 11 insertions(+), 7 deletions(-)
diff --git a/tests/SetEpsTestCasesFromScratch/f77/eels.for b/tests/SetEpsTestCasesFromScratch/f77/eels.for
index 768825c..68f034e 100644
--- a/tests/SetEpsTestCasesFromScratch/f77/eels.for
+++ b/tests/SetEpsTestCasesFromScratch/f77/eels.for
@@ -194,11 +194,12 @@ C ABTI0209
C **** log modification start
write (99, '(i5, i5)') neps, layers
- write (99, '(a)') mode
+ j1 = 0
do i = 1, neps
write (99, '(a, g15.7, i5)') name(i), epsinf(i), nos(i)
do j = 1, nos(i)
- write (99, '(3g15.7)') osc(1,j), osc(2,j), osc(3,j)
+ j1 = j1 + 1
+ write (99, '(3g15.7)') osc(1,j1), osc(2,j1), osc(3,j1)
enddo
enddo
write (99, *)
diff --git a/tests/SetEpsTestCasesFromScratch/f77/epsLog/seteps001.log b/tests/SetEpsTestCasesFromScratch/f77/epsLog/seteps001.log
index cdd1cfa4e76e9347f7b76b7104d26940d549e9d9..4ea7b7d80f96207243846d8c15604b23b1ec1c5e 100644
GIT binary patch
delta 19
VcmexV`nHry0SFAi#76$dRsch`1`_}P
delta 24
acmaD``l*y(0SFAi1Q!DX8^cDf$5sGYjRqqC
diff --git a/tests/SetEpsTestCasesFromScratch/f77/epsLog/seteps004.log b/tests/SetEpsTestCasesFromScratch/f77/epsLog/seteps004.log
index a851395f53c8fb965813dff69a69c879f8039f6a..9a2086c03c5f9952f0a33b7d3bddf38996b0fd6c 100644
GIT binary patch
delta 19
VcmexV`nHry0SFAi#76$dRsch`1`_}P
delta 24
acmaD``l*y(0SFAi1Q!DX8^cDf$5sGYjRqqC
diff --git a/tests/SetEpsTestCasesFromScratch/f77/epsLog/seteps006.log b/tests/SetEpsTestCasesFromScratch/f77/epsLog/seteps006.log
index 58cff9d956f25913fa66096d764d8464719edfb9..510e58cf06928728d043a78790b01b7c31a58540 100644
GIT binary patch
delta 67
zcmex-i1FPaMlJ;)Fai@3`3tlRElf>K4D}2^0tyPcKo%H4xCVNLMsV)Nm8TK_B_$7s
delta 32
jcmaENi1G6wMt%h#Fai@?3=C`x6S)c|>S}LXdNKh3n)wM{
diff --git a/tests/SetEpsTestCasesFromScratch/f90/doeels.f90 b/tests/SetEpsTestCasesFromScratch/f90/doeels.f90
index 972e962..4ba1d8f 100644
--- a/tests/SetEpsTestCasesFromScratch/f90/doeels.f90
+++ b/tests/SetEpsTestCasesFromScratch/f90/doeels.f90
@@ -63,7 +63,7 @@ subroutine doeels (e0, theta, phia, phib, wmin, wmax, dw, comment, comment_size,
double complex, allocatable :: eps(:)
! **** log modification start
- integer :: j
+ integer :: j, j1
! **** log modification end
external fun, qrat
@@ -196,10 +196,12 @@ subroutine doeels (e0, theta, phia, phib, wmin, wmax, dw, comment, comment_size,
! **** log modification start
write (99, '(i5, i5)') neps, layers
write (99, '(a)') mode
+ j1 = 0
do i = 1, neps
write (99, '(a, g15.7, i5)') name(i), epsinf(i), nos(i)
do j = 1, nos(i)
- write (99, '(3g15.7)') osc(1,j), osc(2,j), osc(3,j)
+ j1 = j1 + 1
+ write (99, '(3g15.7)') osc(1,j1), osc(2,j1), osc(3,j1)
enddo
enddo
write (99, *)
diff --git a/tests/SetEpsTestCasesFromScratch/f90/epsLog/seteps006.log b/tests/SetEpsTestCasesFromScratch/f90/epsLog/seteps006.log
index f050380..3a12d81 100644
--- a/tests/SetEpsTestCasesFromScratch/f90/epsLog/seteps006.log
+++ b/tests/SetEpsTestCasesFromScratch/f90/epsLog/seteps006.log
@@ -3,7 +3,7 @@ No-layers
MnO 4.950000 1
269.0000 16.00000 0.5000000E-01
Platinum 8.900000 1
- 269.0000 16.00000 0.5000000E-01
+ 185541.0 -1.000000 0.1200000
50.00000 21.52103 0.1595170 -60.54409 30923.34
52.00000 21.56943 0.1668695 -60.54407 29733.97
diff --git a/tests/SetEpsTestCasesFromScratch/original/eels.for b/tests/SetEpsTestCasesFromScratch/original/eels.for
index 7c1b6c7..7b198ce 100644
--- a/tests/SetEpsTestCasesFromScratch/original/eels.for
+++ b/tests/SetEpsTestCasesFromScratch/original/eels.for
@@ -187,11 +187,12 @@ C ABTI0209
C **** log modification start
write (99, '(i5, i5)') neps, layers
- write (99, '(a)') mode
+ j1 = 0
do i = 1, neps
write (99, '(a, g15.7, i5)') name, epsinf(i), nos(i)
do j = 1, nos(i)
- write (99, '(3g15.7)') osc(1,j), osc(2,j), osc(3,j)
+ j1 = j1 + 1
+ write (99, '(3g15.7)') osc(1,j1), osc(2,j1), osc(3,j1)
enddo
enddo
write (99, *)
diff --git a/tests/SetEpsTestCasesFromScratch/original/epsLog/seteps001.log b/tests/SetEpsTestCasesFromScratch/original/epsLog/seteps001.log
index cdd1cfa4e76e9347f7b76b7104d26940d549e9d9..4ea7b7d80f96207243846d8c15604b23b1ec1c5e 100644
GIT binary patch
delta 19
VcmexV`nHry0SFAi#76$dRsch`1`_}P
delta 24
acmaD``l*y(0SFAi1Q!DX8^cDf$5sGYjRqqC
diff --git a/tests/SetEpsTestCasesFromScratch/original/epsLog/seteps004.log b/tests/SetEpsTestCasesFromScratch/original/epsLog/seteps004.log
index a851395f53c8fb965813dff69a69c879f8039f6a..9a2086c03c5f9952f0a33b7d3bddf38996b0fd6c 100644
GIT binary patch
delta 19
VcmexV`nHry0SFAi#76$dRsch`1`_}P
delta 24
acmaD``l*y(0SFAi1Q!DX8^cDf$5sGYjRqqC
diff --git a/tests/SetEpsTestCasesFromScratch/original/epsLog/seteps006.log b/tests/SetEpsTestCasesFromScratch/original/epsLog/seteps006.log
index 0c7e6c145398f21132d6ca18a534ca37d77d79b1..1e2885381eff9e1b4e93330e2b39337091e84a3b 100644
GIT binary patch
delta 67
zcmex-i1FPaMlJ;)Fai@3`3tlRElf>K4D}2^0tyPcKo%H4xCVNLMsV)Nm8TK_B_$7s
delta 32
jcmaENi1G6wMt%h#Fai@?3=C`x6S)c|>S}LXdNKh3n)wM{
--
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