Cooper

icon indicating a website link https://cote3804.github.io/

icon company @CuBoulder icon location I'm a recent PhD graduate from CU Boulder. I write code to discover materials.

Results 2 issues of Cooper

UTF-8 error when using ccread

6 comment

I'm getting a UTF-8 coding error when trying to parse an ORCA file using ccread: ``` from cclib.io.ccio import ccread with open("out.txt", "r") as handle: parse_obj = ccread(handle) parsed_dict =...

docs

Addition of JDFTx code

8 comment

## Summary Adding support for [JDFTx](https://jdftx.org/index.html), an open source plane wave code that supports grand-canonical DFT and implements accurate solvation models. ## Dependencies on other repositories * [Pymatgen](https://github.com/materialsproject/pymatgen/pull/4078) * [Custodian](https://github.com/materialsproject/custodian/pull/349)...