softmaterialslab/nanoconfinement-md
This code allows users to simulate ions confined between material surfaces that are nanometers apart, and extract the associated ionic structure.
Jupyter NotebookApache-2.0
Issues
- 0
Better example documentation
#165 opened by supunkamburugamuve - 0
Recommended UI Changes
#151 opened by PrudhviVajja - 0
Failing to put ions in confinement
#136 opened by kadupitiya - 2
- 0
run lammps local
#109 opened by jadhao - 0
energy matching with lammps + dt optimal
#105 opened by jadhao - 3
finalizing mesh walls and lammps
#97 opened by jadhao - 0
sad
#78 opened by kadupitiya - 3
integration with xsede
#66 opened by jadhao - 4
documentation
#43 opened by jadhao - 1
write a configure script
#60 opened by jadhao - 2
transition to rappture
#25 opened by jadhao - 3
transition openmp to mpi
#3 opened by jadhao - 6
parametrize output and datafile names and path
#34 opened by smarru - 1
Caching output data
#40 opened by kadupitiya - 9
- 8
Add config file to pass input values
#33 opened by smarru - 0
What am I doing today
#2 opened by jadhao