Sarath Menon

icon indicating a website link sarathmenon.me icon indicating an email [email protected]

icon company @icams icon location Germany icon location Research Group leader for Atomistic Simulation of Thermodynamic Properties @ ICAMS, Ruhr-Universität Bochum

Results 102 comments of Sarath Menon

Need support for newton off requirement when using pair_style nequip

@ChengQIAN93 Unfortunately the script mode is not yet available for temperature sweep. One way twould be to do calculations for an array of temperatures one by one. Further expansion of...

Regarding System Melted error and Unable to use NVT ensemble

@1997sankha Thanks for the issue! Could you please tell me what is the input atomic structure?