Giacomo Fiorin

Results 101 comments of Giacomo Fiorin

Yes, passing a LAMMPS variable as argument is one of the option I was thinking about. Thanks for pointing out the `kim` example! And of course, the library interface (C...

Ok, so what I guess we can do is create both the fix *and* the module at the same time, but only initialize the latter as empty, and wait until...

To summarize, I got confused a bit about which functions need to be overridden and which overloaded. The former gets a little tricky depending on the compiler. Eventually I fixed...

That sounds okay to me. I just didn't convert all those cases after introducing the bitwise flags in `Parse_Mode` mostly to minimize risks to backward compatibility (read: inertia, actually). This...

I believe a more pressing need is finishing up the support for `logLevel`, first introduced in 5e717157e5e623f6edd1a9dc248bc86dc9e15a74. All calls to `get_keyval()` handle that flag already. But there are plenty of...

Alternatively, using environment variables may be also useful in other scenarios. Something like this: ``` refPositionFile getenv(COMMON_DIR)/coordinates.xyz ``` which could be confined just to file path values. In principle I'm...

Replying to last message in issue #249. Indeed, I was thinking to start with having the same requirements between "siblings", with the idea of making it more flexible as needed...

Long term this is important to reuse pieces of computation for efficiency purposes. I do not have an immediate use case to prioritize this, but it needs to be done...

If you have a good idea to work on it in the short/medium term, feel free to assign to you of course.