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Feature to control max bondlength for specific atom names

enhancement

Status: Open.

#78 In khavernathy/mcmd;

· khavernathy opened on Jan 29, 2024

add impropers to default bond parameters detection

enhancement

Status: Open.

#73 In khavernathy/mcmd;

· khavernathy opened on Jun 11, 2019

lammps write bond/angle information

enhancement

Status: Open.

#72 In khavernathy/mcmd;

· khavernathy opened on Jun 11, 2019

make option for individual function datafiles

enhancement

Status: Open.

#70 In khavernathy/mcmd;

· khavernathy opened on Oct 1, 2018

make output for user-selected pair energies

enhancement

Status: Open.

#68 In khavernathy/mcmd;

· khavernathy opened on Aug 15, 2018

long range polarization force

enhancement

Status: Open.

#67 In khavernathy/mcmd;

· khavernathy opened on Aug 11, 2018

box dynamics

enhancement

Status: Open.

#65 In khavernathy/mcmd;

· khavernathy opened on Jun 20, 2018

make element determination function more selective

enhancement

Status: Open.

#64 In khavernathy/mcmd;

· khavernathy opened on May 30, 2018

OpenMP for bonded energy/forces

enhancement

Status: Open.

#63 In khavernathy/mcmd;

· khavernathy opened on May 19, 2018

do ewald ES energy for periodic optimization, too

enhancement

Status: Open.

#62 In khavernathy/mcmd;

· khavernathy opened on May 19, 2018

MSD/diffusion calc

bug

enhancement

Status: Open.

#60 In khavernathy/mcmd;

· khavernathy opened on Apr 28, 2018

add Si, Cd UFF4MOF params

enhancement

Status: Open.

#59 In khavernathy/mcmd;

· khavernathy opened on Apr 18, 2018