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| Name | Last modified | Size | Description |
|---|---|---|---|---|
| Parent Directory | - | ||
| SConscript | 2023-03-18 12:21 | 509 | |
| __init__.py | 2023-03-18 12:21 | 15K | |
| build_hydrogens.py | 2023-03-18 12:21 | 29K | |
| connectivity.py | 2023-03-18 12:21 | 20K | |
| find.py | 2023-03-18 12:21 | 35K | |
| hydrogens.h | 2023-03-18 12:21 | 12K | |
| hydrogens_ext.cpp | 2023-03-18 12:21 | 3.8K | |
| parameterization.py | 2023-03-18 12:21 | 17K | |
| reduce_hydrogen.py | 2023-03-18 12:21 | 18K | |
| riding.py | 2023-03-18 12:21 | 11K | |
| specialised_hydrogen_atoms.py | 2023-03-18 12:21 | 9.4K | |
| tst.py | 2023-03-18 12:21 | 109K | |
| tst_add_hydrogen.py | 2023-03-18 12:21 | 26K | |
| tst_add_hydrogen_2.py | 2023-03-18 12:21 | 38K | |
| tst_add_hydrogen_3.py | 2023-03-18 12:21 | 9.4K | |
| tst_connectivity.py | 2023-03-18 12:21 | 4.5K | |
| tst_parameterization_1.py | 2023-03-18 12:21 | 29K | |
| tst_parameterization_2.py | 2023-03-18 12:21 | 23K | |
| tst_parameterization_3.py | 2023-03-18 12:21 | 12K | |
| tst_parameterization_4.py | 2023-03-18 12:21 | 8.8K | |
| tst_parameterization_5.py | 2023-03-18 12:21 | 26K | |
| tst_parameterization_6.py | 2023-03-18 12:21 | 10K | |
| tst_parameterization_7.py | 2023-03-18 12:21 | 14K | |
| tst_parameterization_8.py | 2023-03-18 12:21 | 20K | |
| tst_parameterization_9.py | 2023-03-18 12:21 | 33K | |
| tst_riding_coefficients.py | 2023-03-18 12:21 | 2.7K | |
| tst_riding_fd_1.py | 2023-03-18 12:21 | 11K | |
| tst_riding_fd_2.py | 2023-03-18 12:21 | 32K | |
| tst_riding_fd_3.py | 2023-03-18 12:21 | 27K | |
| tst_riding_fd_4.py | 2023-03-18 12:21 | 23K | |
| tst_riding_fd_5.py | 2023-03-18 12:21 | 16K | |
| tst_riding_manager.py | 2023-03-18 12:21 | 7.7K | |
| tst_riding_minimize.py | 2023-03-18 12:21 | 8.5K | |
| tst_validate_H.py | 2023-03-18 12:21 | 64K | |
| validate_H.py | 2023-03-18 12:21 | 34K | |