modified the input 'rd.in' for some of the derivative_structure_gener…

…ator:map_dvector_permutation tests. These had originally been written using an input file for hex or hcp that had only about 4 digits of precision. This would cause the code itself to change with the new 'equal' routine. The new input files should mimic the original tests but without so much 'noise' from finite precision errors.
msg-byu · Apr 10, 2019 · 0047cf2 · 0047cf2
1 parent 8141f0e
commit 0047cf2
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Showing 9 changed files with 32 additions and 28 deletions.
diff --git a/.gitignore b/.gitignore
@@ -4,9 +4,6 @@
 \#*
 .#*
 
-# Unit Testing
-staging/
-
 # Compiled Object files
 src/compile.log
 *.slo
@@ -43,7 +40,14 @@ version.enum
 
 # Test folders
 unittests/
-stagging/
+staging/
+
+#Atom/Latex files
+*.aux
+*.fdb_latexmk
+*.fls
+*.log
+*.synctex.gz
 
 #Mac dung
 .DS_Store
diff --git a/tests/derivative_structure_generator/map_dvector_permutation_rd.in.10 b/tests/derivative_structure_generator/map_dvector_permutation_rd.in.10
@@ -1,4 +1,4 @@
 # <fortpy version="1" template="real"></fortpy>
-  0.49999999999999989       -2.5979607526516180E-004
-  0.28897511999999975        4.4997999999984989E-004
-  0.81649658000000003       -4.0000000416390380E-008
+    0.50000000000000000        0.0000000000000000   
+    0.28897511999999992        0.0000000000000000   
+    0.81649658000000003        0.0000000000000000   
diff --git a/tests/derivative_structure_generator/map_dvector_permutation_rd.in.13 b/tests/derivative_structure_generator/map_dvector_permutation_rd.in.13
@@ -1,4 +1,4 @@
 # <fortpy version="1" template="real"></fortpy>
-  0.49999999999999989       -2.5979607526532833E-004
-  0.28897511999999975        4.4997999999949910E-004
-  0.81649658000000003        1.1102230246251564E-016
+   0.50000000000000000      0.0000000000000000         
+   0.28897511999999992      0.0000000000000000         
+   0.81649658000000003      0.0000000000000000         
diff --git a/tests/derivative_structure_generator/map_dvector_permutation_rd.in.14 b/tests/derivative_structure_generator/map_dvector_permutation_rd.in.14
@@ -1,4 +1,4 @@
 # <fortpy version="1" template="real"></fortpy>
-  0.49999999999999989       -2.5979607526532833E-004
-  0.28897511999999975        4.4997999999949910E-004
-  0.81649658000000003       -4.0000000416390380E-008
+    0.50000000000000000        0.0000000000000000   
+    0.28897511999999992        0.0000000000000000   
+    0.81649658000000003        0.0000000000000000   
diff --git a/tests/derivative_structure_generator/map_dvector_permutation_rd.in.19 b/tests/derivative_structure_generator/map_dvector_permutation_rd.in.19
@@ -1,4 +1,4 @@
 # <fortpy version="1" template="real"></fortpy>
-  0.49999999999999989        2.5979607526480921E-004
-  0.28897511999999975        4.4997999999984989E-004
-  0.81649658000000003        1.1102230246251564E-016
+    0.50000000000000000        0.0000000000000000   
+    0.28897511999999992        0.0000000000000000   
+    0.81649658000000003        0.0000000000000000   
diff --git a/tests/derivative_structure_generator/map_dvector_permutation_rd.in.20 b/tests/derivative_structure_generator/map_dvector_permutation_rd.in.20
@@ -1,4 +1,4 @@
 # <fortpy version="1" template="real"></fortpy>
-  0.49999999999999989        2.5979607526480921E-004
-  0.28897511999999975        4.4997999999984989E-004
-  0.81649658000000003       -4.0000000416390380E-008
+    0.50000000000000000        0.0000000000000000   
+    0.28897511999999992        0.0000000000000000   
+    0.81649658000000003        0.0000000000000000   
diff --git a/tests/derivative_structure_generator/map_dvector_permutation_rd.in.7 b/tests/derivative_structure_generator/map_dvector_permutation_rd.in.7
@@ -1,4 +1,4 @@
 # <fortpy version="1" template="real"></fortpy>
-  0.49999999999999989        2.5979607526493975E-004
-  0.28897511999999975        4.4997999999949910E-004
-  0.81649658000000003        1.1102230246251564E-016
+     0.50000000000000000       0.0000000000000000   
+     0.28897511999999992       0.0000000000000000   
+     0.81649658000000003       0.0000000000000000   
diff --git a/tests/derivative_structure_generator/map_dvector_permutation_rd.in.8 b/tests/derivative_structure_generator/map_dvector_permutation_rd.in.8
@@ -1,4 +1,4 @@
 # <fortpy version="1" template="real"></fortpy>
-  0.49999999999999989        2.5979607526493975E-004
-  0.28897511999999975        4.4997999999949910E-004
-  0.81649658000000003       -4.0000000416390380E-008
+    0.50000000000000000        0.0000000000000000        
+    0.28897511999999992        0.0000000000000000        
+    0.81649658000000003        0.0000000000000000        
diff --git a/tests/derivative_structure_generator/map_dvector_permutation_rd.in.9 b/tests/derivative_structure_generator/map_dvector_permutation_rd.in.9
@@ -1,4 +1,4 @@
 # <fortpy version="1" template="real"></fortpy>
-  0.49999999999999989       -2.5979607526516180E-004
-  0.28897511999999975        4.4997999999984989E-004
-  0.81649658000000003        1.1102230246251564E-016
+    0.50000000000000000       0.0000000000000000        
+    0.28897511999999992       0.0000000000000000        
+    0.81649658000000003       0.0000000000000000