biod.pnpi.spb.ru / alexxy / gromacs.git / search
? search:
summary | shortlog | log | commit | commitdiff | tree
first ⋅ prev ⋅ next
Uncapitalize sc-gapsys parameters in input.
2021-10-05 Sebastian KehlUncapitalize sc-gapsys parameters in input.
 commit | commitdiff | tree
2021-10-05 Sebastian KehlUpdate documentation with changed sc-gapsys parameter...
commit | commitdiff | tree
2021-10-05 Sebastian KehlRename sc-sigma-LJ-gapsys to sc-gapsys-sigma-LJ.
 commit | commitdiff | tree
2021-10-05 Sebastian KehlRename sc-scale-X-gapsys to sc-gapsys-scale-X.
 commit | commitdiff | tree
2021-10-05 Sebastian KehlGuard for epsfac equals zero in sc-gapsys.
 commit | commitdiff | tree
2021-10-05 Sebastian KehlFix webpage.
 commit | commitdiff | tree
2021-10-05 Sebastian KehlAdd release notes.
 commit | commitdiff | tree
2021-10-05 Sebastian KehlFix random fpe errors by proper initialization.
 commit | commitdiff | tree
2021-10-05 Sebastian KehlClang-format.
 commit | commitdiff | tree
2021-10-05 Sebastian KehlFix some more double literals.
 commit | commitdiff | tree
2021-10-05 Sebastian KehlUpdate user-guide and reference manual.
 commit | commitdiff | tree
2021-10-05 Sebastian KehlFix port of gapsys-LJ to simd.
 commit | commitdiff | tree
2021-10-05 Sebastian KehlFix range checks for new parameters.
 commit | commitdiff | tree
2021-10-05 Sebastian KehlFix sign in 14-interactions with sc-gapsys.
 commit | commitdiff | tree
2021-10-05 Sebastian KehlIntroduce explicit parameters for gapsys-sc.
 commit | commitdiff | tree
2021-10-05 Sebastian KehlRemove SoftcoreType::None.
 commit | commitdiff | tree
2021-10-05 Sebastian KehlSwap position of sc-function in readir.
 commit | commitdiff | tree
2021-10-05 Sebastian KehlReverse order of conditions.
 commit | commitdiff | tree
2021-10-05 Sebastian KehlFix use of literals.
 commit | commitdiff | tree
2021-10-05 Sebastian KehlRemove changes to the test cases.
 commit | commitdiff | tree
2021-10-05 Sebastian KehlAdd gapsys softcore function.
 commit | commitdiff | tree
2021-09-29 Sebastian KehlClang-format of nb-fep-kernel
 commit | commitdiff | tree
2021-04-12 Sebastian KehlAdd unit test for the nonbonded fep kernel.
 commit | commitdiff | tree
2021-04-01 Sebastian KehlAdd unit test for 1-4 interactions.
 commit | commitdiff | tree
2021-02-15 Sebastian KehlExpose mk_nbfp and make_ljpme_c6grid.
 commit | commitdiff | tree
2021-02-12 Sebastian KehlFix leaked memory created in make_ljpme_c6grid.
 commit | commitdiff | tree
Local GROMACS mirror with custom stuff