From 9a0d7c1bcf71445623d9f11400ae51b83ffb34cc Mon Sep 17 00:00:00 2001 From: Miki Bonacci Date: Sat, 29 Jun 2024 21:49:38 +0000 Subject: [PATCH] Deleting the diamond.cif file, as it will give case-insensitive problems with Diamond.cif - this will happen only for case-insensitive filesystems. --- .../app/structure/examples/diamond.cif | 33 ------------------- 1 file changed, 33 deletions(-) delete mode 100644 src/aiidalab_qe/app/structure/examples/diamond.cif diff --git a/src/aiidalab_qe/app/structure/examples/diamond.cif b/src/aiidalab_qe/app/structure/examples/diamond.cif deleted file mode 100644 index 844368a0f..000000000 --- a/src/aiidalab_qe/app/structure/examples/diamond.cif +++ /dev/null @@ -1,33 +0,0 @@ -data_image0 -_cell_length_a 4.332 -_cell_length_b 5.098 -_cell_length_c 4.432 -_cell_angle_alpha 90 -_cell_angle_beta 90 -_cell_angle_gamma 90 - -loop_ - _atom_site_label - _atom_site_occupancy - _atom_site_fract_x - _atom_site_fract_y - _atom_site_fract_z - _atom_site_thermal_displace_type - _atom_site_B_iso_or_equiv - _atom_site_type_symbol - C1 1.0000 0.10045 0.00336 0.25487 Biso 1.000 C - C2 1.0000 0.60034 0.24661 0.25487 Biso 1.000 C - C3 1.0000 0.93283 0.24667 0.75481 Biso 1.000 C - C4 1.0000 0.43520 0.49797 0.30226 Biso 1.000 C - C5 1.0000 0.10042 1.00341 0.74519 Biso 1.000 C - C6 1.0000 0.59801 0.75203 0.80226 Biso 1.000 C - C7 1.0000 0.93509 0.75205 0.30228 Biso 1.000 C - C8 1.0000 0.43519 0.49797 0.69776 Biso 1.000 C - C9 1.0000 0.43298 0.00331 0.24525 Biso 1.000 C - C10 1.0000 0.93287 0.24666 0.24525 Biso 1.000 C - C11 1.0000 0.60031 0.24661 0.74519 Biso 1.000 C - C12 1.0000 0.09813 0.49798 0.19779 Biso 1.000 C - C13 1.0000 0.43295 1.00335 0.75480 Biso 1.000 C - C14 1.0000 0.93508 0.75206 0.69775 Biso 1.000 C - C15 1.0000 0.59802 0.75204 0.19776 Biso 1.000 C - C16 1.0000 0.09811 0.49799 0.80224 Biso 1.000 C