88 |
|
nGlobal = CnGlobal |
89 |
|
|
90 |
|
thisSim = setThisSim |
91 |
+ |
|
92 |
|
rcut2 = thisSim%rcut * thisSim%rcut |
93 |
|
rcut6 = rcut2 * rcut2 * rcut2 |
94 |
|
rlist2 = thisSim%rlist * thisSim%rlist |
246 |
|
function getRrf() result(rrf) |
247 |
|
real( kind = dp ) :: rrf |
248 |
|
rrf = thisSim%rrf |
249 |
< |
write(*,*) 'getRrf = ', rrf |
249 |
< |
end function getRrf |
249 |
> |
end function getRrf |
250 |
|
|
251 |
|
function getRt() result(rt) |
252 |
|
real( kind = dp ) :: rt |
253 |
|
rt = thisSim%rt |
254 |
< |
write(*,*) 'getRt = ', rt |
255 |
< |
end function getRt |
254 |
> |
end function getRt |
255 |
|
|
256 |
|
function getDielect() result(dielect) |
257 |
|
real( kind = dp ) :: dielect |