Issues
- 0
Deploying MD-SAPT on conda-forge
#45 opened by ALescoulie - 1
register as MDAKit
#41 opened by orbeckst - 11
Problem with installation
#43 opened by CarvFS - 2
update/fix pydantic for testing
#42 opened by orbeckst - 0
SAPT tests are too slow
#34 opened by ALescoulie - 1
- 0
Add Option to set Psi4 Scratch Space
#26 opened by ALescoulie - 0
- 0
MD-SAPT v1.1.0
#21 opened by ALescoulie - 4
- 1
Only starts Psi4 jobs single threaded.
#15 opened by ALescoulie - 0
Docs issues
#18 opened by ALescoulie - 2
Save Wave Function for Reused Selections
#19 opened by ALescoulie