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	21686	September 30, 2021
Welcome to Materials Project Discussion Materials Project	1	9705	October 2, 2015
Colvars atomsOfGroup and targetEquilSteps LAMMPS Beginners	0	3	April 20, 2024
Force field (Dreading, UFF) do not work when space group is used for structure descrition GULP	5	16	April 19, 2024
Parallelise MACE calculator ASE	0	12	April 19, 2024
Stress sigmazz negative for both tensile and compressive deformations along z-axis LAMMPS General Discussion stress	0	23	April 19, 2024
Colour Coding OVITO howto	5	26	April 19, 2024
Defining dynamic dihedrals with atom types in coarse-grained system using fix bond/react LAMMPS Development	0	19	April 19, 2024
How to generate the structure file in the gzipped format with Fortran code? LAMMPS General Discussion lammps	2	32	April 19, 2024
Simulate DNA damage under X/gamma ray in LAMMPS LAMMPS General Discussion howto , lammps	0	18	April 19, 2024
Eff package: add a separate thermostat for electron radial LAMMPS Development howto	1	30	April 19, 2024
Storing atom attributes using fix property/atom while adding and deleting atoms LAMMPS Development howto , lammps	1	28	April 19, 2024
Error: Too many open files LAMMPS Development lammps , error	2	36	April 19, 2024
AMBER FFs in GULP GULP	3	156	April 19, 2024
GULP on Windows 11: GULP howto	6	636	April 19, 2024
Troubles to see the plugin content in the 'NOMAD Oasis with plugins' tutorial NOMAD and FAIRmat	0	11	April 19, 2024
Cluster Surface Area OVITO	1	21	April 19, 2024
Problem with lost atom LAMMPS General Discussion lattice , lammps	4	96	April 19, 2024
How to let the CNT cool down and plot the correct out-put for temperature versus time? LAMMPS Beginners howto , lammps , materials-project	0	25	April 18, 2024
Generating a random list of materials and a given property Materials Project	0	19	April 18, 2024
Type Error when Importing mp_api Materials Project Data/API howto , error	1	20	April 18, 2024
Bond timing using KOKKOS gpu acceleration LAMMPS Development	4	45	April 18, 2024
Call member funtion of a fix(not used in lammps script) class from another Fix(used in lammps script) LAMMPS Development	11	87	April 18, 2024
Fix move linear, how to prohibit rotation? LAMMPS Beginners howto	12	73	April 18, 2024
Simple shear to elastic network LAMMPS General Discussion howto	5	87	April 18, 2024
Harmonic bond lammps LAMMPS Beginners lammps	4	114	April 18, 2024
The question about the calculation procedure of deformation potential? AMSET	1	330	April 18, 2024
Calculate MSD in a particular region of a particular type atom LAMMPS General Discussion	1	28	April 18, 2024
GPU accelerated LAMMPS running for a while then stop with Cuda driver error 4 LAMMPS General Discussion gpu , error	7	62	April 18, 2024
Error in getting bandstructure by material id through pymatgen pymatgen	7	451	April 18, 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…