History Graph
History Graph
| Commit | Author | Details | Committed | |||
|---|---|---|---|---|---|---|
| 7b1ace6890c9 | Axel Kohlmeyer | significantly simplify and clean up EC support code in fix qmmm. reduce memory… | Jul 8 2016 | |||
| 511c8f202148 | Axel Kohlmeyer | first pass of refactoring for fix qmmm. | Jul 8 2016 | |||
| f18138ccacdd | Axel Kohlmeyer | import code for fix qmmm as provided by carlo & co. | Jul 8 2016 | |||
| 5e9f4c81305f | Axel Kohlmeyer | fix compilation of USER-QMMM for 64-bit atom tags | Jan 24 2014 | |||
| c46d035229f6 | Axel Kohlmeyer | add verbosity flag and formalize output | Oct 10 2013 | |||
| ba6891e9e09f | Axel Kohlmeyer | flow of control for QM/MM confirmed. cleanups. | Oct 7 2013 | |||
| d94cccd40b4c | Axel Kohlmeyer | set up basic flow of control and remove excess dead code | Oct 7 2013 | |||
| 5130f5b6a6fb | Axel Kohlmeyer | trigger post update hook | Oct 3 2013 | |||
| e8e57d13dd9e | Axel Kohlmeyer | small improvement. exchange some coordinates | Oct 2 2013 | |||
| 1b978aad0f80 | Axel Kohlmeyer | prepare having two hash tables. fix force conversion. | Oct 2 2013 | |||
| ae7cdb3cb426 | Axel Kohlmeyer | add (incomplete) qmmm code as user package | Oct 2 2013 |
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