# | Line 51 | Line 51 | void SimInfo::refreshSim(){ | |
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51 | fInfo.dielect = dielectric; | |
52 | ||
53 | fInfo.SIM_uses_PBC = usePBC; | |
54 | + | //fInfo.SIM_uses_LJ = 0; |
55 | fInfo.SIM_uses_LJ = useLJ; | |
56 | < | |
57 | < | //fInfo.SIM_uses_sticky = useSticky; |
57 | < | fInfo.SIM_uses_sticky = 0; |
56 | > | fInfo.SIM_uses_sticky = useSticky; |
57 | > | //fInfo.SIM_uses_sticky = 0; |
58 | fInfo.SIM_uses_dipoles = useDipole; | |
59 | //fInfo.SIM_uses_dipoles = 0; | |
60 | < | fInfo.SIM_uses_RF = useReactionField; |
60 | > | //fInfo.SIM_uses_RF = useReactionField; |
61 | > | fInfo.SIM_uses_RF = 0; |
62 | fInfo.SIM_uses_GB = useGB; | |
63 | fInfo.SIM_uses_EAM = useEAM; | |
64 | ||
# | Line 65 | Line 66 | void SimInfo::refreshSim(){ | |
66 | ||
67 | isError = 0; | |
68 | ||
69 | < | fInfo; |
70 | < | n_atoms; |
71 | < | identArray; |
72 | < | n_exclude; |
73 | < | excludes; |
74 | < | nGlobalExcludes; |
75 | < | globalExcludes; |
76 | < | isError; |
69 | > | // fInfo; |
70 | > | // n_atoms; |
71 | > | // identArray; |
72 | > | // n_exclude; |
73 | > | // excludes; |
74 | > | // nGlobalExcludes; |
75 | > | // globalExcludes; |
76 | > | // isError; |
77 | ||
78 | setFsimulation( &fInfo, &n_atoms, identArray, &n_exclude, excl, | |
79 | &nGlobalExcludes, globalExcludes, &isError ); |
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