Homec4science

updated and slightly refactored tabulation for vashishta pair style

Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Aug 28 2016, 04:36.

Description

updated and slightly refactored tabulation for vashishta pair style

  • tables are now dimensioned by nelements instead of ntypes
  • tables are only created if used
  • correctly identify max size of table
  • add test for illegal cutoff for tabulation
  • allocated memory for tables is accounted for
  • add example input using 16-bit tables

Details

Committed
Axel Kohlmeyer <akohlmey@gmail.com>Aug 28 2016, 05:05
Pushed
jungeOct 19 2017, 09:53
Parents
rLAMMPSbf59c976f853: Added curly brackets and spaces for better code readability
Branches
Unknown
Tags
Unknown

Event Timeline

Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPSebce76c7f063: updated and slightly refactored tabulation for vashishta pair style (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Aug 28 2016, 05:05