ROM Pinned H2O#271

Merged

jeanlucf22 merged 18 commits intoROMFPMDfrom

Aug 14, 2024

Commits on Jun 6, 2024

Commits on Jun 14, 2024

loadOrbitalsFromRestartFile -> loadRestartFile (#253)
dreamer2368
authored

Commits on Jul 20, 2024

Add SG15 PBE potential for N (#258)
jeanlucf22
authored

Commits on Jul 22, 2024

Update 2-pyridone example (#259)
jeanlucf22
authored

Commits on Jul 29, 2024

Commits on Jul 30, 2024

Print out eigenvalues out of MVP solver (#262)
jeanlucf22
authored

Commits on Jul 31, 2024

Commits on Aug 1, 2024

Fix and test EnergyAndForces interface (#266)
jeanlucf22
authored

Commits on Aug 8, 2024

Add new functionality to compute energy and forces (#267)
jeanlucf22
authored

Commits on Aug 13, 2024

Merge branch 'release' into ROM_PinnedH2O
siuwuncheung
committed