Difference between revisions of "Latest changes"

From AutoMeKin
Jump to navigation Jump to search
Line 1: Line 1:
 
{| class="wikitable"
 
{| class="wikitable"
!colspan="6"|Latest revision: 500
+
!colspan="6"|Latest revision: 868
 +
|-
 +
|12/21/2020
 +
|2020 version
 
|-
 
|-
 
|12/02/2019
 
|12/02/2019

Revision as of 08:27, 21 January 2020

Latest revision: 868
12/21/2020 2020 version
12/02/2019 Bug in FINAL.sh
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 Fragmented molecules are no longer valid.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