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inputs_drop_weight.json
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inputs_drop_weight.json
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{
"problem type":{
"class": "drop weight",
"diameter": 0.03,
"acceleration": 30000000,
"steps to accelerate": 5
},
"scale-bridging":{
"activate md update": 1,
"approximate md with hookes law": 0,
"use pjm scheduler": 0
},
"continuum time":{
"timestep length": 5.0e-7,
"start timestep": 1,
"end timestep": 100
},
"continuum mesh":{
"fe degree": 1,
"quadrature formula": 2,
"input": {
"style" : "cuboid",
"x length" : 0.1,
"y length" : 0.1,
"z length" : 0.017,
"x cells" : 6,
"y cells" : 6,
"z cells" : 1
}
},
"model precision":{
"md":{
"min quadrature strain norm": 1.0e-10
},
"spline":{
"points": 10,
"min steps": 500,
"diff threshold": 0.000001
}
},
"molecular dynamics material":{
"number of replicas": 1,
"list of materials": ["g0"],
"distribution": {
"style": "uniform",
"proportions": [1.0]
},
"rotation common ground vector":[1.0, 0.0, 0.0]
},
"molecular dynamics parameters":{
"temperature": 300.0,
"timestep length": 2.0,
"strain rate": 1.0e-4,
"number of sampling steps": 100,
"scripts directory": "./lammps_scripts_opls",
"force field": "opls"
},
"computational resources":{
"machine cores per node": 24,
"number of nodes for FEM simulation": 1,
"minimum nodes per MD simulation": 1
},
"output data":{
"checkpoint frequency": 100,
"visualisation output frequency": 1,
"analytics output frequency": 1,
"homogenization output frequency": 1000
},
"directory structure":{
"macroscale input": "./macroscale_input",
"nanoscale input": "./nanoscale_input",
"macroscale output": "./macroscale_output",
"nanoscale output": "./nanoscale_output",
"macroscale restart": "./macroscale_restart",
"nanoscale restart": "./nanoscale_restart",
"macroscale log": "./macroscale_log",
"nanoscale log": "./nanoscale_log"
}
}