v1.10.0

Commits

• 33788d8: Added additional support for Psi4 (Laura Granda) #12
• 190cc74: Added specification basic check (Laura Granda) #12
• 03d02fc: Code style standardization (Lint Action)
• a34a9c3: Fixed small typos (Zarko Ivkovic) #14
• f11d258: Changed constraints implementation and added security for scans attempts (Zarko Ivkovic) #14
• 89c4308: Merge branch 'main' into nwchem (zarkoivkovicc) #14
• 760975d: Code style standardization (Lint Action)
• 7e7c1ac: MP2 and CC support + NEB Calculaton type (Zarko Ivkovic) #16
• 0971e61: CASSCF calculations and density fitting (Zarko Ivkovic) #16
• a3b3d30: Extensive tests added for all features (Zarko Ivkovic) #16
• 7954e00: Updated documentation with nwchem info (Zarko Ivkovic) #16
• 2498df4: Fixed typos and cleaned up code (Zarko Ivkovic) #16
• bb85e9f: Fixed everything expect specification syntax (Zarko Ivkovic) #16
• 736d75b: Alternative specification syntax nwchem (Zarko Ivkovic) #16
• a6eb8e8: Additional check for specs (Zarko Ivkovic) #16
• 86ce756: Also print solvation output file; Check for existance of radii (Zarko Ivkovic) #16
• d38ef0c: Code style standardization (Lint Action)
• 529d38a: Fixed docs and minor tweaks (Raphaël Robidas)