LOG

Version 4.0
19/06/2019
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Adaptive grid refinement included.
Integration algorithms included.
Integration by subdomains of sign(lambda2)*rho implemented with the RANGE keyword.
Addition of the .wfx reader module by Dave Arias.

Version 4.0.1
22/06/2020
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New manual!
RHOCUT2 has been substituted by INTERCUT.
INTEGRATE keyword is now required for integration.
Default adaptive scheme CG2FG 4 8 4 2 1.
Default parameters are now 0.1 angstrom increments. 
Default box extension (rthres) is molecule size + 10.75 angstrom.
New keywords introduced: COARSE, FINE and ULTRAFINE.
COARSE sets increments to 0.15 and rthres to 0.5 angstrom. 
FINE sets increments to 0.05 and CG2FG 4 12 8 4 1.
ULTRAFINE sets increments to 0.025 and CG2FG 4 24 16 8 1. 
INCREMENTS are input in angstroms as well.
It is now possible to read more than one wavefunction file, albeit not recommended.