| .. | | 03-May-2022 | - |
| .gitignore | H A D | 27-Jul-2021 | 131 | 10 | 9 |
| Angle.cpp | H A D | 27-Jul-2021 | 2.1 KiB | 69 | 37 |
| Angle.h | H A D | 27-Jul-2021 | 1.9 KiB | 51 | 11 |
| AtomNumber.cpp | H A D | 27-Jul-2021 | 1 KiB | 25 | 1 |
| AtomNumber.h | H A D | 27-Jul-2021 | 4.2 KiB | 153 | 87 |
| BiasRepresentation.cpp | H A D | 27-Jul-2021 | 10 KiB | 271 | 218 |
| BiasRepresentation.h | H A D | 27-Jul-2021 | 4.2 KiB | 107 | 50 |
| Brent1DRootSearch.cpp | H A D | 27-Jul-2021 | 1 KiB | 25 | 1 |
| Brent1DRootSearch.h | H A D | 27-Jul-2021 | 4 KiB | 121 | 76 |
| Citations.cpp | H A D | 27-Jul-2021 | 1.7 KiB | 58 | 28 |
| Citations.h | H A D | 27-Jul-2021 | 2.5 KiB | 75 | 17 |
| Communicator.cpp | H A D | 27-Jul-2021 | 9.5 KiB | 316 | 258 |
| Communicator.h | H A D | 27-Jul-2021 | 10.8 KiB | 249 | 135 |
| ConjugateGradient.cpp | H A D | 27-Jul-2021 | 1 KiB | 23 | 1 |
| ConjugateGradient.h | H A D | 27-Jul-2021 | 2.5 KiB | 67 | 33 |
| DLLoader.cpp | H A D | 27-Jul-2021 | 2 KiB | 80 | 47 |
| DLLoader.h | H A D | 27-Jul-2021 | 2.2 KiB | 63 | 19 |
| DynamicList.cpp | H A D | 27-Jul-2021 | 1 KiB | 25 | 1 |
| DynamicList.h | H A D | 27-Jul-2021 | 13.6 KiB | 381 | 189 |
| ERMSD.cpp | H A D | 27-Jul-2021 | 9.6 KiB | 332 | 171 |
| ERMSD.h | H A D | 27-Jul-2021 | 2.3 KiB | 73 | 28 |
| Exception.cpp | H A D | 27-Jul-2021 | 2.5 KiB | 97 | 65 |
| Exception.h | H A D | 27-Jul-2021 | 11.8 KiB | 342 | 103 |
| File.h | H A D | 27-Jul-2021 | 1.1 KiB | 29 | 5 |
| FileBase.cpp | H A D | 27-Jul-2021 | 4.2 KiB | 170 | 121 |
| FileBase.h | H A D | 27-Jul-2021 | 4.3 KiB | 153 | 68 |
| ForwardDecl.cpp | H A D | 27-Jul-2021 | 1 KiB | 23 | 1 |
| ForwardDecl.h | H A D | 27-Jul-2021 | 1.6 KiB | 56 | 21 |
| Grid.cpp | H A D | 27-Jul-2021 | 41.6 KiB | 1,164 | 920 |
| Grid.h | H A D | 27-Jul-2021 | 14.1 KiB | 339 | 199 |
| HistogramBead.cpp | H A D | 27-Jul-2021 | 9.5 KiB | 266 | 160 |
| HistogramBead.h | H A D | 27-Jul-2021 | 3.4 KiB | 115 | 74 |
| IFile.cpp | H A D | 27-Jul-2021 | 7.6 KiB | 282 | 227 |
| IFile.h | H A D | 27-Jul-2021 | 3.3 KiB | 113 | 42 |
| KernelFunctions.cpp | H A D | 27-Jul-2021 | 16.8 KiB | 428 | 306 |
| KernelFunctions.h | H A D | 27-Jul-2021 | 3.5 KiB | 94 | 50 |
| Keywords.cpp | H A D | 27-Jul-2021 | 29.3 KiB | 699 | 618 |
| Keywords.h | H A D | 27-Jul-2021 | 8.1 KiB | 177 | 93 |
| LatticeReduction.cpp | H A D | 27-Jul-2021 | 5.5 KiB | 212 | 174 |
| LatticeReduction.h | H A D | 27-Jul-2021 | 2.5 KiB | 67 | 21 |
| LinkCells.cpp | H A D | 27-Jul-2021 | 6.4 KiB | 177 | 118 |
| LinkCells.h | H A D | 27-Jul-2021 | 3.7 KiB | 100 | 46 |
| Log.cpp | H A D | 27-Jul-2021 | 1 KiB | 24 | 1 |
| Log.h | H A D | 27-Jul-2021 | 1.4 KiB | 43 | 10 |
| LoopUnroller.cpp | H A D | 27-Jul-2021 | 1 KiB | 25 | 1 |
| LoopUnroller.h | H A D | 27-Jul-2021 | 4.4 KiB | 161 | 84 |
| Makefile | H A D | 27-Jul-2021 | 76 | 5 | 2 |
| Matrix.cpp | H A D | 27-Jul-2021 | 1 KiB | 25 | 1 |
| Matrix.h | H A D | 27-Jul-2021 | 16.3 KiB | 415 | 278 |
| MatrixSquareBracketsAccess.cpp | H A D | 27-Jul-2021 | 1 KiB | 25 | 1 |
| MatrixSquareBracketsAccess.h | H A D | 27-Jul-2021 | 4.8 KiB | 141 | 49 |
| Minimise1DBrent.cpp | H A D | 27-Jul-2021 | 1 KiB | 25 | 1 |
| Minimise1DBrent.h | H A D | 27-Jul-2021 | 5.7 KiB | 196 | 145 |
| MinimiseBase.cpp | H A D | 27-Jul-2021 | 1 KiB | 25 | 1 |
| MinimiseBase.h | H A D | 27-Jul-2021 | 4.4 KiB | 116 | 65 |
| MolDataClass.cpp | H A D | 27-Jul-2021 | 31.8 KiB | 588 | 536 |
| MolDataClass.h | H A D | 27-Jul-2021 | 2.3 KiB | 52 | 17 |
| MultiValue.cpp | H A D | 27-Jul-2021 | 4.5 KiB | 121 | 81 |
| MultiValue.h | H A D | 27-Jul-2021 | 7 KiB | 241 | 159 |
| NeighborList.cpp | H A D | 27-Jul-2021 | 7.5 KiB | 227 | 176 |
| NeighborList.h | H A D | 27-Jul-2021 | 3.7 KiB | 95 | 47 |
| OFile.cpp | H A D | 27-Jul-2021 | 11.8 KiB | 420 | 339 |
| OFile.h | H A D | 27-Jul-2021 | 9.7 KiB | 284 | 71 |
| OpenMP.cpp | H A D | 27-Jul-2021 | 2.1 KiB | 79 | 42 |
| OpenMP.h | H A D | 27-Jul-2021 | 2.4 KiB | 79 | 32 |
| PDB.cpp | H A D | 27-Jul-2021 | 21.2 KiB | 590 | 392 |
| PDB.h | H A D | 27-Jul-2021 | 6.7 KiB | 151 | 74 |
| Pbc.cpp | H A D | 27-Jul-2021 | 7.8 KiB | 248 | 168 |
| Pbc.h | H A D | 27-Jul-2021 | 3.9 KiB | 113 | 41 |
| PlumedHandle.cpp | H A D | 27-Jul-2021 | 3.9 KiB | 136 | 100 |
| PlumedHandle.h | H A D | 27-Jul-2021 | 5 KiB | 134 | 35 |
| RMSD.cpp | H A D | 27-Jul-2021 | 63 KiB | 1,471 | 1,088 |
| RMSD.h | H A D | 27-Jul-2021 | 19.8 KiB | 375 | 238 |
| Random.cpp | H A D | 27-Jul-2021 | 4.1 KiB | 170 | 124 |
| Random.h | H A D | 27-Jul-2021 | 2.2 KiB | 73 | 44 |
| RootFindingBase.cpp | H A D | 27-Jul-2021 | 1 KiB | 25 | 1 |
| RootFindingBase.h | H A D | 27-Jul-2021 | 3.2 KiB | 78 | 37 |
| Stopwatch.cpp | H A D | 27-Jul-2021 | 2.3 KiB | 80 | 39 |
| Stopwatch.h | H A D | 27-Jul-2021 | 11.5 KiB | 412 | 163 |
| Subprocess.cpp | H A D | 27-Jul-2021 | 4.9 KiB | 182 | 129 |
| Subprocess.h | H A D | 27-Jul-2021 | 4.4 KiB | 143 | 49 |
| SwitchingFunction.cpp | H A D | 27-Jul-2021 | 17.5 KiB | 543 | 335 |
| SwitchingFunction.h | H A D | 27-Jul-2021 | 4.6 KiB | 127 | 49 |
| Tensor.cpp | H A D | 27-Jul-2021 | 2.1 KiB | 52 | 19 |
| Tensor.h | H A D | 27-Jul-2021 | 19 KiB | 569 | 379 |
| Tools.cpp | H A D | 27-Jul-2021 | 13.9 KiB | 444 | 366 |
| Tools.h | H A D | 27-Jul-2021 | 11 KiB | 307 | 171 |
| Torsion.cpp | H A D | 27-Jul-2021 | 3 KiB | 81 | 43 |
| Torsion.h | H A D | 27-Jul-2021 | 2.2 KiB | 54 | 11 |
| Units.cpp | H A D | 27-Jul-2021 | 4.1 KiB | 161 | 123 |
| Units.h | H A D | 27-Jul-2021 | 4.6 KiB | 168 | 80 |
| Vector.cpp | H A D | 27-Jul-2021 | 1.7 KiB | 46 | 14 |
| Vector.h | H A D | 27-Jul-2021 | 9.4 KiB | 340 | 191 |
| h36.cpp | H A D | 27-Jul-2021 | 8.6 KiB | 336 | 228 |
| h36.h | H A D | 27-Jul-2021 | 1.3 KiB | 40 | 9 |
| module.type | H A D | 27-Jul-2021 | 7 | 2 | 1 |