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Pull requests: theochem/ffprime

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Pull requests list

Feature/vdw qdo potential
#16 opened Jun 23, 2026 by Leandro-A-VA Loading…
Add direct spherical dipole and quadrupole potential evaluation
#15 opened Jun 19, 2026 by harshjha15335 Contributor Loading…
3
Fix: Stability fix for force constants (#6)
#12 opened Apr 30, 2026 by Ayesha49282 Loading…
Add Cartesian <-> spherical multipole conversion utilities
#11 opened Mar 28, 2026 by harshjha15335 Contributor Loading…
1
Fix AttributeError when Hessian has no negative eigenvalues
#10 opened Mar 17, 2026 by WHOIM1205 Loading…
1
Fix missing negative sign in Grimme D1/D2 dispersion energy
#9 opened Mar 17, 2026 by WHOIM1205 Loading…
1
Fix critical bugs and enhance security
#8 opened Mar 15, 2026 by Eashan-H Loading…
Add dipole electrostatic potential and field functions
#4 opened Mar 8, 2026 by rahulbalaji13 Loading…
1
Add monopole electrostatic potential and field with unit tests
#2 opened Feb 20, 2026 by chinmaybhardwaj711 Loading…
2
ProTip! What’s not been updated in a month: updated:<2026-05-28.