Materials Science Community Discourse

Topic	Replies	Views	Activity
Materials Project Database Release Log Materials Project Data/API [Edit by admin: Database version logs are now maintained in our public documentation available at Database Versions - Materials Project Documentation] We’ve released a new revision of the Materials Project database as p…	19	21740	September 30, 2021
Welcome to Materials Project Discussion Materials Project	1	9721	October 2, 2015
Energy minimization for Berendsen thermostat (temp/Berendsen)+ NVE LAMMPS General Discussion lammps	0	2	April 28, 2024
MPI error LAMMPS Beginners error	4	32	April 28, 2024
Lammps - balance command LAMMPS	1	20	April 28, 2024
Creating a potential profile from trajectory generated with ELECTRODE package LAMMPS Beginners	3	42	April 28, 2024
A suggestion to improve Material Project Python API Materials Project Data/API	0	13	April 28, 2024
TypeError: float() argument must be a string or a real number, not ‘Atom’ AMSET	2	28	April 28, 2024
Supercell size in DFPT calculation in AMSET AMSET	2	27	April 28, 2024
Usage ave/chunk and chunk/atom instead of ave/spatial LAMMPS	1	14	April 28, 2024
Bond Parameters LAMMPS	3	27	April 28, 2024
Lammps Balance command LAMMPS lammps , parallel	4	23	April 28, 2024
How to set the temperature in the "fix nvt" command when the molecules are partially restricted LAMMPS General Discussion	2	36	April 27, 2024
Dipole Fluctuation Method for Water LAMMPS General Discussion howto , lammps	1	17	April 27, 2024
Error "Variable maxXvalue: Compute used in variable between runs is not current" LAMMPS lammps	2	18	April 27, 2024
Inquiry Regarding Centering Polymer Head in LAMMPS Movie Dump LAMMPS General Discussion	13	26	April 27, 2024
[lammps-users] phase transition in finite nanoplate LAMMPS Beginners lammps , howto	0	20	April 27, 2024
Add fix gravity to vibration model? LAMMPS General Discussion	0	52	April 27, 2024
Problem with fix ave/histo LAMMPS General Discussion	9	78	April 27, 2024
Calculate MSD in a particular region of a particular type atom LAMMPS General Discussion	6	100	April 27, 2024
How to merge two data files with different force fields LAMMPS General Discussion	4	54	April 26, 2024
Linesearch alpha is zero when mimimizing Cu(111) slabs LAMMPS Beginners	1	29	April 26, 2024
MP Phase Diagram App -- finite T only works for "R2SCAN only" Materials Project bug-report , materials-project	3	31	April 26, 2024
Discussion of commentary by Francesco Maresca and Erik van der Giessen: "Present and future of atomistic simulations of dislocation plasticity" KIM REVIEW	0	17	April 26, 2024
Kliff GULP howto	0	16	April 26, 2024
Loading ACE Potential in ASE ASE	0	16	April 26, 2024
Meam potential in pair_style hybrid command LAMMPS General Discussion	0	21	April 26, 2024
About Coulomb Potential LAMMPS Beginners	1	31	April 26, 2024
Minimisation iteration gets stuck once the energy is zero LAMMPS Development lammps	11	92	April 26, 2024
How to delete voronoi cell in python script OVITO	4	54	April 26, 2024

Materials Project Database Release Log

[Edit by admin: Database version logs are now maintained in our public documentation available at Database Versions - Materials Project Documentation] We’ve released a new revision of the Materials Project database as p…