dgehringer/sqsgenerator
A command line tool written in Python/C++ for finding optimized SQS structures
C++MIT
Issues
- 0
Multiple sub lattice optimisation
#52 opened by dgehringer - 0
Composition by mole fractions
#51 opened by dgehringer - 2
Dear maintainer. This is a nice work. Congrats! It's pleasing to hear that the project is evolving.
#50 opened by dgehringer - 3
- 4
Error in systematic mode
#41 opened by dhoulek - 5
`numpy.float128` not available on Windows
#46 opened by realitychemist - 4
- 3
- 3
Valueerror on unspecified file (here: POSCAR)
#39 opened by ndhamrai - 10
Feature Information
#37 opened by khaledb9 - 3
Issue with ASE structure conversion
#35 opened by abuanand - 1
- 6
- 1
Configurational entropy
#27 opened by QQQsupermans - 1
progress bar
#16 opened by dhoulek - 5
Calculate Warren-Cowley short-range-order
#14 opened by QQQsupermans - 1
setting up the composition flag correctly
#4 opened by johwag - 1
Defining sublattice composition
#6 opened by jksebst - 1
Thread Limit
#3 opened by jan-janssen - 0
Issue with building sqsgenerator
#2 opened by jan-janssen - 0
License
#1 opened by jan-janssen