Matteo Ambrosetti comments

Repositories
Issues
Comments

Results 4 comments of


                                            Matteo Ambrosetti

QCG Example 4 - munmap_chunk(): invalid pointer

Hey, I tried to run the QCG Example 1, but I get the same error, whereas all the other examples (not the ones in the QCG subsection) are working well....

QCG Example 4 - munmap_chunk(): invalid pointer

Good morning, I made some test and the issue seems to be related to the dimension of the input solvent/solute. I am using the following command: `crest xtbopt.xyz --qcg xtbopt.xyz...

QCG Example 4 - munmap_chunk(): invalid pointer

Thank you for your help @cplett!

Potential energy without MTD potential in MTD trajectories

Hello, is there any update on this topic? I would like to analyze the output of a reactor run but, if I understand correctly, the energy values saved are considering...