Skip to content

Commit

Permalink
Update paper.md
Browse files Browse the repository at this point in the history
  • Loading branch information
naik-aakash authored Jan 11, 2024
1 parent eeace52 commit 7cacd55
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion paper/paper.md
Original file line number Diff line number Diff line change
Expand Up @@ -35,7 +35,7 @@ bibliography: paper.bib
# Summary
The LOBSTER software aids in extracting quantum-chemical bonding information from materials by projecting the
plane-wave based wave functions from density functional theory (DFT) onto an atomic orbital basis. [LobsterEnv](https://github.com/materialsproject/pymatgen/blob/master/pymatgen/io/lobster/lobsterenv.py),
which is implemented in pymatgen[@ong2013python] by some of the authors of this package, facilitates the use of quantum-chemical bonding
a module implemented in pymatgen[@ong2013python] by some of the authors of this package, facilitates the use of quantum-chemical bonding
information obtained from LOBSTER calculations to identify neighbors and coordination environments. _LobsterPy_ is a Python package that offers a set of convenient tools
to further analyze and summarize the LobsterEnv outputs in the form of JSONs that are easy to interpret and process. These tools enable the
estimation of (anti) bonding contributions, generation of textual descriptions, and visualization of LOBSTER computation results. Since its first release, both _LobsterPy_ and _LobsterEnv_ capabilities
Expand Down

0 comments on commit 7cacd55

Please sign in to comment.