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	21824	September 30, 2021
Welcome to Materials Project Discussion Materials Project	1	9767	October 2, 2015
ReaxFF Charge Equilibriation for Both Metals & Organics LAMMPS Beginners	3	17	May 15, 2024
How to determine the miu in the fix gcmc command？ LAMMPS Beginners lammps , howto	3	36	May 15, 2024
Ewald Summation for Slab Geometry LAMMPS kspace	1	11	May 15, 2024
Incorrect args for pair coefficients (src/MANYBODY/pair_eam_alloy.cpp:51) Last command: pair_coeff * * FeCrNi.eam.alloy Fe Cr Ni LAMMPS lammps , error	2	9	May 15, 2024
Runing hiphive on supercomputer hiPhive	0	4	May 15, 2024
ReaxFF-lg Discrepancies in the low-gradient correction term LAMMPS lammps , bug-report , reaxff	5	57	May 15, 2024
ERROR: Bond atoms missing LAMMPS	1	10	May 15, 2024
MSD of center of mass (linear polymer) LAMMPS Beginners	1	14	May 15, 2024
Could not find "rocthrust" when configure kokkos LAMMPS	3	28	May 15, 2024
Help! I want to use LAMMPS to create a simulation for EDM, but I'm encountering some problems LAMMPS lammps	1	27	May 14, 2024
TbFe2-Cubic Materials Project Data/API	3	52	May 14, 2024
LAMMPS Benchmarking memory allocation issue LAMMPS General Discussion error , kokkos	4	101	May 14, 2024
Species cannot be recognized in the species.out file after the reaxff simulation LAMMPS lammps	4	43	May 14, 2024
ERROR on proc 2: Neighbor list overflow, boost neigh_modify one LAMMPS General Discussion howto , error	2	25	May 14, 2024
Problem with creating a molecule using the create_atoms command LAMMPS Beginners error , howto	2	39	May 14, 2024
How to use ovito to get the diagram I want OVITO	1	192	April 2, 2024
Improvement of page navigation Materials Project	2	54	May 14, 2024
HPLC Adsorption LAMMPS	2	58	May 13, 2024
Machine learning reactive potentials in LAMMPS LAMMPS Beginners	2	68	May 13, 2024
How to retrieve material following formula ABX3 Materials Project Data/API	1	21	May 13, 2024
Regarding parallelization of exciting code calculation exciting	4	47	May 13, 2024
Some ternary phase diagrams don't render Materials Project	2	39	May 13, 2024
Minimisation iteration gets stuck once the energy is zero LAMMPS Development lammps	12	159	May 13, 2024
Choosing Hardware for LAMMPS Simulation LAMMPS General Discussion	1	30	May 13, 2024
Non-numeric atom coords - simulation unstable (../domain.cpp:548) LAMMPS	3	39	May 13, 2024
Finding twinning OVITO lammps	1	30	May 13, 2024
CO molecules gather near Pt nanospheres during running LAMMPS Beginners	2	37	May 13, 2024
Ovito data file visualization OVITO	6	57	May 13, 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…