5.1.1

Version 5.1.1 (03/09/2024).

1. The MOLDEN file generated by the latest version of PSI4 has been supported now, including spdfg spherical and spdf Cartesian functions. In the latter case, also add [Program] psi4 in MOLDEN or PROGRAM=7 in m2a.ini.

5.1.0

Version 5.1.0 (08/29/2023).

1. The MOLDEN file generated by Bagel, CP2k, or eT (since Ver. 1.4) has been supported.
2. The [Nval] data block (suggested by Multiwfn may be used for ECP basis sets.
3. Ghost atom in the [Atoms] block has been supported.

5.0.8

1. Bug fix: xenon was identified as a dummy atom by mistake.

5.0.7

1. A new option ANSI for colors in terminal.
2. For the Molden file generated by Molpro, energy is printed in the WFN and WFX files.
3. For the Molden file generated by BDF, energy and virial ratio are printed in the WFN and WFX files.
4. Bug fix for the option ALLMO: abs(occ) is checked now, which is important for natural orbitals.