Releases: MMunibas/FittingWizard
Releases · MMunibas/FittingWizard
v1.0-alpha
This is an alpha release of the FittingWizard code.
The MTP fitting section is validated and should work.
CHARMM files generation and database with sqlite were tested and should work.
LJ fit section is not yet fully tested and validated on all architectures, so python execution bugs are still probables !