From c72017285852d1c3552bbdef7f95d9a210cf86a6 Mon Sep 17 00:00:00 2001 From: Ilektra Christidi Date: Wed, 24 Jan 2024 11:58:28 +0000 Subject: [PATCH] Add .gitignore and needed housekeeping, to make benchmark folders manageable. --- benchmarks/.gitignore | 12 ++++++++++++ ...22_G200_8proc => Conquest_output_K222_G200_8proc} | 0 benchmarks/water_64mols/Conquest_input | 2 +- .../water_64mols/{H2O_coord.in => H2O_coord.dat} | 0 4 files changed, 13 insertions(+), 1 deletion(-) create mode 100644 benchmarks/.gitignore rename benchmarks/K222_G200/{output_K222_G200_8proc => Conquest_output_K222_G200_8proc} (100%) rename benchmarks/water_64mols/{H2O_coord.in => H2O_coord.dat} (100%) diff --git a/benchmarks/.gitignore b/benchmarks/.gitignore new file mode 100644 index 000000000..a5a7a0c06 --- /dev/null +++ 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 b/benchmarks/K222_G200/Conquest_output_K222_G200_8proc similarity index 100% rename from benchmarks/K222_G200/output_K222_G200_8proc rename to benchmarks/K222_G200/Conquest_output_K222_G200_8proc diff --git a/benchmarks/water_64mols/Conquest_input b/benchmarks/water_64mols/Conquest_input index 9d456a900..353816b1b 100644 --- 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 b/benchmarks/water_64mols/H2O_coord.dat similarity index 100% rename from benchmarks/water_64mols/H2O_coord.in rename to benchmarks/water_64mols/H2O_coord.dat