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| Latest revision: 367 | |||||
|---|---|---|---|---|---|
| 11/16/2019 | Check of input structure in amk.sh. Fragmented molecules are no longer valid. | ||||
| 09/16/2019 | pdfs are now also generated in FINAL_HL | ||||
| 07/09/2019 | if name of working dir is too long, name--->wrkdir | ||||
| 06/30/2019 | amk acronym replaces old tsscds acronym | ||||
| 04/18/2019 | MIT license | ||||
| 04/17/2019 | The label of the starting min in the kmc simulations is in tsdirll/KMC/starting_minimum | ||||
| 04/15/2019 | A bug in get_energy_g09_MP2.sh was corrected | ||||
| 04/01/2019 | threads=1 has been added to the input files in the examples folder. The use of this keyword is highly recommented to avoid multhreading in MOPAC calculations for much better performance | ||||
| 03/01/2019 | A bug in the kmc.f90 source file was corrected | ||||
