Add .gitignore and needed housekeeping, to make benchmark folders man…

…ageable.
OrderN · Jan 24, 2024 · c720172 · c720172
1 parent 4a71353
commit c720172
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Showing 4 changed files with 13 additions and 1 deletion.
diff --git a/benchmarks/.gitignore b/benchmarks/.gitignore
@@ -0,0 +1,12 @@
+# Ignore everything
+*
+# Don't ignore directories, so we can recurse into them
+!*/
+# Don't ignore .gitignore and specific files in all subdirectories
+!.gitignore
+!*/Conquest_input
+!*/Conquest_output*
+!*/README.md
+!*/*.ion
+!*/*.dat
+!*/*.xtl
diff --git a/benchmarks/K222_G200/output_K222_G200_8proc → ...K222_G200/Conquest_output_K222_G200_8proc b/benchmarks/K222_G200/output_K222_G200_8proc → ...K222_G200/Conquest_output_K222_G200_8proc
diff --git a/benchmarks/water_64mols/Conquest_input b/benchmarks/water_64mols/Conquest_input
@@ -1,5 +1,5 @@
 IO.Title    Water static test, DZ, GridCutoff=50Ha
-IO.Coordinates    H2O_coord.in
+IO.Coordinates    H2O_coord.dat
 IO.FractionalAtomicCoords F
 IO.Iprint 1
 IO.WriteOutToFile F

diff --git a/benchmarks/water_64mols/H2O_coord.in → benchmarks/water_64mols/H2O_coord.dat b/benchmarks/water_64mols/H2O_coord.in → benchmarks/water_64mols/H2O_coord.dat