Closed FreemanTheMaverick closed 2 years ago
Well. There are no answers, so I will assume that there are no learning materials of libmsym
, so I cannot utilize it in my code, and I will have to write a molecular symmetry library of my own. Actually I have already done part of it while waiting for an answer to this issue. It is tedious, but I do not think completing it will take long.
Hi,
The difference in number of active developers between this library and libint is quite significant. There is no documentation besides the README, example code and publication. If you can write your own symmetry library it shouldn't be to hard to decipher the example code (c/python). If you are just interested in finding the point group (rather than wave function symmetrization) there are several other projects that do just that.
Hello everyone. I am a student who want to implement
libmsym
in my code. In this webpage I do not see any tutorial to use to learn how to use this library, except theexamples
code, which is not commented enough for me to understand. I wonder if there is any document or manual or wiki that I can resort to, like whatlibint2
has.