Oliver Lee
Oliver Lee
Just a quick bug I came across, the css property: 'text-transform: capitalize' makes every letter in the word lowercase, except for the first which is made uppercase. According to the...
Hi there, I'm having some trouble with a column based layout and images breaking across pages and wanted to ask if what I'm encountering is a weasyprint bug or if...
Hi folks, long-term fan of the project. I'd like to suggest a possible new parsed property that would be useful for optimised excited states calculations. In such calculations, it is...
In Gaussian it is possible to request a two-step optimisation & frequency calculation in the same job by specifying both Opt and Freq as follows: > The recommended practice is...
Currently, each `Logfile` object sets up it's own logging object: ``` self.loglevel = loglevel self.logname = logname self.logger = logging.getLogger(f"{self.logname} {self.inputfile.file_name}") self.logger.setLevel(self.loglevel) if len(self.logger.handlers) == 0: handler = logging.StreamHandler(logstream) handler.setFormatter(logging.Formatter("[%(name)s...
Thanks to @jvalegre for proving the attached file which fails to parse with the following: [TS.log.log.zip](https://github.com/cclib/cclib/files/12506050/TS.log.log.zip) ``` Attempting to read TS.log.log [Gaussian TS.log.log ERROR] Encountered error when parsing. [Gaussian TS.log.log...
Gauging interest on including a PySCF -> cclib style bridge, so pyscf result data can be represented in the usual cclib data structures. Essentially a 'parser' but taking the pyscf...
This issue is inspired by a hotfix I quickly wrote to solve a strange openbabel import error, but I thought it was worth a wider discussion because of a few...
Ok, this is now working to the point where it's ready for at least an initial review. The main workhorse is `cclib.bridge.cclib2pyscf.cclibfrommethods()` which accepts a number of PySCF method objects...