Is extraction of dipole moments from real-time TDDFT a Python command?


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7:02:45 AM PDT - Wed, May 13th 2015
Quote:Xiongyan21 May 10th 12:59 am

The Python version is 3.4, and its directory is /usr/bin/PYTHON.

What is the problem here?


The actual python home is /usr/lib/python3.4 or /usr/lib64/python3.4

PYTHONHOME is /usr/local, should be /usr

export PYTHONHOME=/usr
export PYTHONVERSION=3.4
export PYTHONLIBTYPE=so

If this doesn't work, you may need to hand edit the library path in makefile.h following
ifdef USE_PYTHON64