d1e601e9558138ec330da9928bf65920 *DESCRIPTION
09c0a5a2fc00039b397b0edc2ac9ca62 *NAMESPACE
c09135d3ecef10f558d9289f2cd73c57 *NEWS.md
601268ffb6ee8098415d0d50465c11c1 *R/calculate_properties.R
8be8545a660632583f93d80e00f1bdaf *R/crystract-package.R
eb718ba768ee8ddac17f1020fdbeb904 *R/data.R
cfe061ae307f0b62f47d04fddbea1c6c *R/extract_cif_data.R
bc79cafa72d189e54a037eaadd265e82 *R/predict_bonds.R
3a9569abc3eff64eed61daa8e84ea2d4 *R/process_cif_files.R
4a9f7cb7c3c45b6b546184b164234720 *R/process_coordinates.R
a77af5fb8b14b2849a1956d3178cbaba *R/radii_management.R
2cc79d05287fd311dd4e0d70c542286d *R/sysdata.rda
0a6f5426eadee461412f7ce457dbb4de *R/utils_global.R
d948a3523bfb39a28c92376e6b6f4ae6 *R/utils_internal.R
1197c3ba5c8e78d6c9a45938651558bb *R/zzz.R
97fb7b7a62e8d73edb407e7ae852fa76 *README.md
f51ba7c8bc94d8cf1fd072b85c6e53ab *build/partial.rdb
02324fb194cec5412026e16856d915fe *build/vignette.rds
28d383c17d1bb26aa93c72f1c68e8ed7 *data/covalent_radii.rda
95649697bf290e1e3e53eb0f24859244 *inst/doc/crystract.R
4f75d3366fb5be3c34e9beb869dbcd45 *inst/doc/crystract.Rmd
54ca775ce8843a5dea80a9110017b47b *inst/doc/crystract.html
329db1b7e499ac75fda81769aa4bbe1b *inst/extdata/1590946.cif
73a0870c82ff1db692c63a9bb33ef88f *inst/extdata/2405219.cif
aee478a20a1b928cbed754e0bac523c0 *man/aggregate_batch_results.Rd
125d6a930a42a941dbdce0ee9044068d *man/analyze_cif_files.Rd
d70686da055156330e5db3c630e81a7e *man/analyze_single_cif.Rd
980ecaf1f52d01a2901a685c235d5047 *man/apply_symmetry_operations.Rd
0d4b0cbeacfd6c4f59982c9ea45dbbe6 *man/brunner_nn_reciprocal.Rd
a983095deab36718ff7cd7ad032b88a9 *man/calculate_angles.Rd
18300df310c0e1b05deb48e388dd58a1 *man/calculate_distances.Rd
9def17c76966ace11572844db0f69f92 *man/calculate_expansion_factors.Rd
b75705779dc0a435ca8ded358198ceb1 *man/calculate_neighbor_counts.Rd
f9386d9f8024bfbf63090186d03c4a4e *man/calculate_weighted_average_network_distance.Rd
162b20e748263720172dcbd23019a336 *man/calculate_weighted_neighbor_counts.Rd
72fffb18514d05ba1bd8e9eb0b064d48 *man/covalent_radii.Rd
09c451401257d727b33410a9bf5572c8 *man/crystal_nn.Rd
e7bf3e9e5507ee46a31d2a390f2ccc5e *man/crystract-package.Rd
aa462c3e657a98d12408f7f7e2fd25b7 *man/econ_nn.Rd
192dc82370152c3d34a93aa45fc86f67 *man/expand_transformed_coords.Rd
03208ec4d389419b5b3d20f90c7a066b *man/export_analysis_to_csv.Rd
dcff137b1aba5101c7c5e1cb6b4680b0 *man/extract_atomic_coordinates.Rd
00aec612b08888c60544a9c23af2bc93 *man/extract_chemical_formula.Rd
82eb4dfd787ba3f4babde78d37d37723 *man/extract_database_code.Rd
adcc76b693305617b2b66c9e81893e80 *man/extract_space_group_name.Rd
21ec26a7357ab0cb946b4483cca230c4 *man/extract_space_group_number.Rd
59b8dd94ba61b28ccc2e952fd1e1e914 *man/extract_structure_type.Rd
843bb98f218e07b3553ccdf14c0ab6e7 *man/extract_symmetry_operations.Rd
8b60951fa6e52562b2a09c1ce5280093 *man/extract_unit_cell_metrics.Rd
ed5faad7b28eff7df13c4e7dd579758d *man/figures/bonding_logic.png
34ef7b3037ba7a9c0a6f77c47b169ece *man/figures/radii_logic.png
793046f0a34030f969c67880b39492f4 *man/figures/workflow_diagram.png
4e1238e3d3e7a535582046d21211b2aa *man/filter_atoms_by_symbol.Rd
58d34ff0c36b35e71b718544446ced3d *man/filter_by_elements.Rd
2207d63c01e5c3027a717d598f8c039a *man/filter_by_wyckoff_symbol.Rd
ec776507ba87e311712d5023c450b560 *man/filter_ghost_distances.Rd
636b1f29a4c7227daeeaa2534f4ea702 *man/merge_sites_pbc.Rd
d8e60d4c07ed4ec3f536316db27be9d0 *man/minimum_distance.Rd
3b7fe4916fff27b41ec325c873e2671e *man/propagate_angle_error.Rd
5cbe4e069047bcad6f2b48bf16ece449 *man/propagate_distance_error.Rd
71ded8acbf2f108589b2a16cbc586365 *man/read_cif_files.Rd
5d6bcc27a2a675fa7f2567dc19bd5c4d *man/set_radii_data.Rd
33d7b84924157bc2971b566ee9663671 *man/voronoi_nn.Rd
329db1b7e499ac75fda81769aa4bbe1b *tests/testthat/1590946.cif
b528d6246c91edd140d0e7024b51c138 *tests/testthat/helper-setup.R
358fda7036b22fda7f209e32b26a1bb9 *tests/testthat/test-01-extractors.R
f5500c0e032b0235ea4e2e3d13d19999 *tests/testthat/test-02-coord-processing.R
9970fabcf4d76468a6ebc50d8217a93d *tests/testthat/test-03-property-calculations.R
33c03775f0fcbeddafdb978a3b389bc3 *tests/testthat/test-04-post-processing.R
e153063bec971a8a6ca8a8b035eecf15 *tests/testthat/test-05-main-pipeline.R
4f75d3366fb5be3c34e9beb869dbcd45 *vignettes/crystract.Rmd
