- 10 Jul, 2020 3 commits
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- 12 May, 2020 4 commits
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Implement the transfroms and mapping steps in separate functions. Update testFourierTransform and timers.
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Functions performing the various mappings and transposes are moved to BasisMapping.
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- 11 May, 2020 1 commit
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The name switch makes the function names consistent with fwd and bwd transforms in FourierTransform
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- 08 May, 2020 6 commits
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The change of sign makes the value of the force consistent with the definition of the force ( -grad(E) ) A positive value of the constraint force tends to increase the constraint value. The change of sign of PairForce makes it such that a positive PairForce value tends to increase the bond length. The value of the PairForce needed to compensate for a distance constraint is opposite to the force acting on the constraint.
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