From ae5955a0d6989401772d5e34aaebca8cdc8fcbe4 Mon Sep 17 00:00:00 2001 From: SiebeLeDe Date: Thu, 21 Mar 2024 16:23:15 +0100 Subject: [PATCH] Removing unnecessary files from the project --- .../read_concatenated_mols.amv | 2957 ----------------- .../read_concatenated_mols.xyz | 2783 ---------------- 2 files changed, 5740 deletions(-) delete mode 100644 test/fixtures/irc_trajectories/read_concatenated_mols.amv delete mode 100644 test/fixtures/irc_trajectories/read_concatenated_mols.xyz diff --git a/test/fixtures/irc_trajectories/read_concatenated_mols.amv b/test/fixtures/irc_trajectories/read_concatenated_mols.amv deleted file mode 100644 index 27a423a9..00000000 --- a/test/fixtures/irc_trajectories/read_concatenated_mols.amv +++ /dev/null @@ -1,2957 +0,0 @@ -Geometry 1, Energy: -3.20614557525014 Ha -C -3.05969991 1.01973378 -0.18167619 -C -2.13236660 0.23780866 0.36500208 -C -0.64284999 0.02513494 0.04593668 -C 0.12206863 1.28912174 -0.24522777 -O 0.64664916 1.56104571 -1.30633201 -H -4.06485832 1.08067213 0.23723209 -H -2.84976754 1.61729789 -1.06909536 -H -0.47686670 -0.69941270 -0.76325145 -H 0.15674112 2.01068854 0.61350119 -C -2.05767528 -0.63022295 1.60874634 -C -0.50464491 -0.58489389 1.48257405 -H -2.46594647 -1.63790858 1.44270139 -H -2.50213044 -0.22472607 2.52699486 -H -0.05030935 0.12878385 2.18244371 -H 0.03284491 -1.53669537 1.54490784 - 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