# | Line 2 | Line 2 | component{ | |
---|---|---|
2 | ||
3 | nComponents = 2; | |
4 | component{ | |
5 | < | type = "SSD"; |
5 | > | type = "Cl-"; |
6 | nMol = 1; | |
7 | } | |
8 | component{ | |
9 | < | type = "Cl-"; |
9 | > | type = "SSD_E"; |
10 | nMol = 1; | |
11 | } | |
12 | ||
# | Line 29 | Line 29 | runTime = 1e5; | |
29 | tauBarostat = 1e4; | |
30 | ||
31 | dt = 1.0; | |
32 | < | runTime = 1e5; |
32 | > | runTime = 1e3; |
33 | ||
34 | < | sampleTime = 1e2; |
35 | < | statusTime = 10; |
34 | > | sampleTime = 10; |
35 | > | statusTime = 1; |
36 | useInitialTime = "false"; | |
37 | useInitialExtendedSystemState = "false"; | |
38 | + | |
39 | + | //tempSet = "true"; |
40 | + | //thermalTime = 100; |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |