Repository 'qcxms_production_run'
hg clone https://toolshed.g2.bx.psu.edu/repos/recetox/qcxms_production_run

Changeset 4:356f7916ac07 (2024-10-17)
Previous changeset 3:e97bfe7ac906 (2024-07-25)
Commit message:
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/qcxms commit 5a088c3d758c9a1dbd119dad55ecffa173139a40
modified:
test-data/TMP.1_qcxms_in.txt
b
diff -r e97bfe7ac906 -r 356f7916ac07 test-data/TMP.1_qcxms_in.txt
--- a/test-data/TMP.1_qcxms_in.txt Thu Jul 25 14:26:55 2024 +0000
+++ b/test-data/TMP.1_qcxms_in.txt Thu Oct 17 06:17:42 2024 +0000
b
@@ -4,4 +4,6 @@
             tmax  20.0 
             tinit  500.0 
             ieeatm  0.6
+            tstep 0.5
+            etemp 5000
         
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