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Change History for
StartersTutorial
Version
Date
Author
Comment
18
13 years
neuen
17
13 years
neuen
Adding additional example: graphene block
16
14 years
FrederikHeber
-p is now -l for loading a molecule
15
14 years
FrederikHeber
pair and surface correlation have no shortforms anymore
14
14 years
FrederikHeber
subgraph lacked -v 3 switch and notice that storing is molecule-wise
13
14 years
FrederikHeber
TranslateAction
works on atoms not molecules anymore
12
14 years
FrederikHeber
Changed first paragraph as negative value is admonished being outside …
11
14 years
FrederikHeber
selectors now have to be in front of the action
10
14 years
FrederikHeber
On using the bond structure we should start fresh for too many …
9
14 years
FrederikHeber
changing domain had a bug (z instead of x component) and
BoxLength
…
8
14 years
FrederikHeber
indices of parsed molecules was wrong
7
14 years
FrederikHeber
removed depth first search analysis
6
14 years
FrederikHeber
added disconnected subgraph message
5
14 years
FrederikHeber
second section adapted
4
14 years
FrederikHeber
split off forst section and made it work on xyz type only
3
14 years
FrederikHeber
changed vectors and box matrices to a single string (change in code …
2
14 years
FrederikHeber
added water.xyz
1
14 years
FrederikHeber
first version of tutorial