| 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 |
