List of output files for PATHSAMPLE

From CUC3
Revision as of 14:26, 17 July 2008 by import>Mp466
Jump to navigation Jump to search

under construction

Structures

start.<n> input coordinate files for OPTIM generated via pathsample

finish.<n> input coordinate files for OPTIM generated via pathsample

Input

pathdath - file for pathsample

odata.new.<n> - files generated by pathsample for OPTIM

min.data.info.<n> - coordinate input files for OPTIM from PATHSAMPLE

path.info.data.<n> - min.TS.Min with frequencies, and structures

nodes.info - processor addresses for a distributed memory machine

Output

OPTIM.connect.<n> - output from OPTIM runs

min.A, min.B and min.data -- A, B and intermediate minima, respectively

ts.data -- transition states

<file>.fastest -- data for the fastest connection of the database

<file>.regrouped -- ??

<file>.retained -- ??

<file>.removed -- ??

points.min, points.ts -- unformatted direct access file versions of min.data and ts.data

Misc

ts.attempts

commit.data

pairs.data

min.done


--mp466 10:31, 8 July 2008 (BST)

Retrieved from "http://wikis.ch.cam.ac.uk/cuc3/wiki/index.php?title=List_of_output_files_for_PATHSAMPLE&oldid=3150"