Commits

Commits on Apr 27, 2023

Update README.md
Trovemaster
committedApr 27, 2023
Create README.md
Trovemaster
committedApr 27, 2023

Commits on Aug 15, 2022

sampled points, analysis-expectation values, alpha_isotropic for C2H2
Trovemaster
committedAug 15, 2022

Commits on Apr 17, 2020

Merge pull request #11 from Trovemaster/hotfix/01
Trovemaster
committedApr 17, 2020
added atomic centre to spin-rotation tensor of XY2 molecule in prop_xy2_spin_rotation_bisector
yachmena
committedApr 17, 2020

Commits on Apr 15, 2020

Commits on Apr 14, 2020

Commits on Apr 1, 2020

clean compile after merge with efield
Trovemaster
committedApr 1, 2020
Merge pull request #10 from Trovemaster/feature/external_field
Trovemaster
committedApr 1, 2020
Merge branch 'master' into feature/external_field
Trovemaster
committedApr 1, 2020
check commiting changes
Trovemaster
committedApr 1, 2020

Commits on Mar 31, 2020

Example of H2O spin-rot input
Trovemaster
committedMar 31, 2020

Commits on Mar 30, 2020

spin-rotatio n is in prop_xy2
Trovemaster
committedMar 30, 2020
spin-rotation as a singular matrix
Trovemaster
committedMar 30, 2020

Commits on Mar 12, 2020

Update mol_c2h6.f90
Trovemaster
committedMar 12, 2020
working on rotational symmetry for C2H6
Trovemaster
committedMar 12, 2020

Commits on Mar 9, 2020

polarizability for C2H6
Trovemaster
committedMar 9, 2020

Commits on Mar 5, 2020

introducing simple model C2H6 alpha tensor
Trovemaster
committedMar 5, 2020

Commits on Feb 14, 2020

dipole_PQ_Lorenzo_CO2
Trovemaster
committedFeb 14, 2020

Commits on Feb 6, 2020

Update molecules.f90
Trovemaster
committedFeb 6, 2020

Commits on Feb 5, 2020

bond-length coordinates
Trovemaster
committedFeb 5, 2020

Commits on Feb 4, 2020

CaOH_pot now in cm-1
Trovemaster
committedFeb 4, 2020