lp:~piti-diablotin/+junk/abiout
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Didi Thunder
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Branch information
- Owner:
- Didi Thunder
- Status:
- Abandoned
Recent revisions
- 506. By Jordan Bieder <email address hidden>
-
Update spglib package with configure script already constructed
- 503. By Jordan Bieder <email address hidden>
-
Add small simulated annealing for extracting decorrelated trajectory from a large one.
This is not available since it does not really work as expected - 501. By Jordan Bieder <email address hidden>
-
Add function to calculate Positions ACF (PACF) with :plot pacf.
Not documented yet since dont know if it is usefull other than for my use :) - 500. By Jordan Bieder <email address hidden>
-
Bug fix
Change -x --nox to -t --term for no window mode ( terminal mode ) - 498. By Jordan Bieder <email address hidden>
-
Change gyro to gyration
Quik fix for T calculation in MD if not in PIMD :
Use velocities in _HIST file instead of recomputing them (wrong if ionmov=13....)
Side effect : vel(itime=0) = 0 so the first T is always 0 ...
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- Branch format:
- Branch format 7
- Repository format:
- Bazaar repository format 2a (needs bzr 1.16 or later)
