Latest changes

From AutoMeKin
Revision as of 08:56, 22 November 2019 by Wikiadmin (talk | contribs)
Jump to navigation Jump to search
Latest revision: 368
11/22/2019 Maximum number of paths set to 50 (in bbfs.f90).
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 Fragmented molecules are no longer valid.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

Return to AutoMeKin