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file | 3dtransforms.h |
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file | arrayrefwithpadding.h |
| Declares gmx::ArrayRefWithPadding that refers to memory whose size includes padding for SIMD operations.
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file | boxmatrix.h |
| Declares routines to operate on 3x3 matrices that are boxes, ie. have zero values in their upper right triangle.
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file | coordinatetransformation.h |
| Declares coordinate transformation routines.
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file | densityfit.h |
| Declares density similarity measures and their derivatives.
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file | densityfittingforce.h |
| Declares classes to calculate density fitting forces.
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file | exponentialmovingaverage.h |
| Declares an exponential moving average class.
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file | gausstransform.h |
| Declares Gaussian function evaluations on lattices and related functionality.
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file | gmxcomplex.h |
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file | invertmatrix.h |
| Declares routines to invert 3x3 matrices.
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file | matrix.h |
| Declares special case of 3x3 matrix frequently used, and associated functions.
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file | multidimarray.h |
| Declares MultiDimArray.
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file | neldermead.h |
| Declare classes to aid Nelder-Mead downhill simplex optimisation.
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file | nrjac.h |
| Declares wrapper functions for higher-level matrix functions.
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file | optimization.h |
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file | paddedvector.h |
| Declares gmx::PaddedRVecVector.
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file | veccompare.h |
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file | vecdump.h |
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