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Set up dftb lammps input file

Status: Open.

#46 In Atomistica/atomistica;

· zhang-cloud77 opened on Jul 8, 2024

atomistica standalone: potential bug in sliding_p

Status: Open.

#41 In Atomistica/atomistica;

· threich opened on Aug 31, 2021

Fortran errors

Status: Open.

#32 In Atomistica/atomistica;

· wgnoehring opened on Nov 20, 2020

Tests for DFT-D3

Status: Open.

#28 In Atomistica/atomistica;

· pastewka opened on Apr 15, 2020

Mac OS X Installation

Status: Open.

#24 In Atomistica/atomistica;

· cortner opened on Aug 7, 2019

C-H and C-C distance-energy curve differ between Rebo2 and Rebo2Scr

Status: Open.

#21 In Atomistica/atomistica;

· threich opened on Feb 13, 2019

Rebo2Scr seems to calculate randomly wrong forces when using OpenMP Parallel

Status: Open.

#19 In Atomistica/atomistica;

· threich opened on Dec 12, 2018

Wrong per-atom stresses when running OpenMP parallel

Status: Open.

#4 In Atomistica/atomistica;

· pastewka opened on Nov 2, 2015