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More sc-gapsys templates plus fix unused warnigs.
2021-10-05 Sebastian KehlMore sc-gapsys templates plus fix unused warnigs.
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2021-10-05 Sebastian KehlFix typo introduced during rebase.
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2021-10-05 Sebastian KehlTemplate sc-gapsys functions on computeForces.
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2021-10-05 Sebastian KehlUncapitalize sc-gapsys parameters in input.
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2021-10-05 Sebastian KehlUpdate documentation with changed sc-gapsys parameter...
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2021-10-05 Sebastian KehlRename sc-sigma-LJ-gapsys to sc-gapsys-sigma-LJ.
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2021-10-05 Sebastian KehlRename sc-scale-X-gapsys to sc-gapsys-scale-X.
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2021-10-05 Sebastian KehlGuard for epsfac equals zero in sc-gapsys.
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2021-10-05 Sebastian KehlFix webpage.
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2021-10-05 Sebastian KehlAdd release notes.
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2021-10-05 Sebastian KehlFix random fpe errors by proper initialization.
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2021-10-05 Sebastian KehlClang-format.
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2021-10-05 Sebastian KehlFix some more double literals.
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2021-10-05 Sebastian KehlUpdate user-guide and reference manual.
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2021-10-05 Sebastian KehlFix port of gapsys-LJ to simd.
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2021-10-05 Sebastian KehlFix range checks for new parameters.
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2021-10-05 Sebastian KehlFix sign in 14-interactions with sc-gapsys.
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2021-10-05 Sebastian KehlIntroduce explicit parameters for gapsys-sc.
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2021-10-05 Sebastian KehlRemove SoftcoreType::None.
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2021-10-05 Sebastian KehlSwap position of sc-function in readir.
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2021-10-05 Sebastian KehlReverse order of conditions.
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2021-10-05 Sebastian KehlFix use of literals.
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2021-10-05 Sebastian KehlRemove changes to the test cases.
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2021-10-05 Sebastian KehlAdd gapsys softcore function.
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2021-09-29 Sebastian KehlClang-format of nb-fep-kernel
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2021-04-12 Sebastian KehlAdd unit test for the nonbonded fep kernel.
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2021-04-01 Sebastian KehlAdd unit test for 1-4 interactions.
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2021-02-15 Sebastian KehlExpose mk_nbfp and make_ljpme_c6grid.
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2021-02-12 Sebastian KehlFix leaked memory created in make_ljpme_c6grid.
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