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	21727	September 30, 2021
Welcome to Materials Project Discussion Materials Project	1	9721	October 2, 2015
Problem with fix ave/histo LAMMPS General Discussion	8	73	April 27, 2024
How to set the temperature in the "fix nvt" command when the molecules are partially restricted LAMMPS General Discussion	0	6	April 27, 2024
TypeError: float() argument must be a string or a real number, not ‘Atom’ AMSET	0	6	April 27, 2024
Calculate MSD in a particular region of a particular type atom LAMMPS General Discussion	6	92	April 27, 2024
Creating a potential profile from trajectory generated with ELECTRODE package LAMMPS Beginners	1	22	April 26, 2024
How to merge two data files with different force fields LAMMPS General Discussion	4	51	April 26, 2024
Linesearch alpha is zero when mimimizing Cu(111) slabs LAMMPS Beginners	1	20	April 26, 2024
MP Phase Diagram App -- finite T only works for "R2SCAN only" Materials Project bug-report , materials-project	3	25	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	11	April 26, 2024
Kliff GULP howto	0	11	April 26, 2024
Loading ACE Potential in ASE ASE	0	11	April 26, 2024
Meam potential in pair_style hybrid command LAMMPS General Discussion	0	16	April 26, 2024
About Coulomb Potential LAMMPS Beginners	1	24	April 26, 2024
Minimisation iteration gets stuck once the energy is zero LAMMPS Development lammps	11	82	April 26, 2024
How to delete voronoi cell in python script OVITO	4	50	April 26, 2024
ERROR: Domain too large for neighbor bins LAMMPS error , lammps	2	28	April 26, 2024
Error for running the Ovito- Pro OVITO error	1	20	April 26, 2024
Thermal Conductivity Behaviour with Temperature? Molten Slag Systems Theory	0	12	April 26, 2024
Print timestep when two atoms cross x-position LAMMPS General Discussion howto	3	24	April 26, 2024
About charge units of units metal LAMMPS Beginners	4	23	April 26, 2024
Pair style and pair coeff for MoS2/WS2 LAMMPS Beginners lammps , howto	2	47	April 25, 2024
Fix bond/react: Bond type affected by reaction myrxn1 is too close to template edge LAMMPS General Discussion lammps	22	688	April 25, 2024
Problem with using VASP with ase to predict the properties of materials ASE	1	22	April 25, 2024
Pymatgen attribute error: specie pymatgen	3	473	April 25, 2024
Type Error when Importing mp_api Materials Project Data/API error , howto	2	43	April 25, 2024
Interfacial interaction energy (IE) LAMMPS General Discussion	2	34	April 25, 2024
Cubes moving through the wall with body/rounded/polyhedron LAMMPS Beginners	4	79	April 25, 2024
How to insert symmetry tolerance (symprec) tag in the hiPhive python script? hiPhive	1	18	April 25, 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…