Amesp

Amesp1.1(dev)

2024-03-21 : Born-Oppenheimer molecular dynamics.
2024-02-08 : Intrinsic reaction coordinate.
2024-01-20 : Transition state search.
2024-01-05 : wB97,wB97X and wB97X-D3.
2023-12-07 : Spin polarization part for aTB.
2023-11-18 : Atomic polarizabilities, dipole moment and quadrupole moment.
2023-11-12 : External field for aTB.
2023-10-16 : Rename DFTB to aTB.
2023-10-05 : DFTB analytic Hessian.
2023-09-14 : CM5 charge.
2023-09-09 : Range-separated functional cam-b3lyp.
2023-09-05 : Improved efficiency of 4c2e and CPCM.
2023-08-26 : Oscillator strengths for SOC.
2023-08-10 : uESE method.
2023-08-01 : Amber force field.
2023-07-11 : TDDFT-ris and TDA-ris.