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jam31118 / qprop

Visualized QPROP
GNU General Public License v3.0
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Use the size of binary wavefunction data file to know the number of radial grid point #16

Closed jam31118 closed 6 years ago

jam31118 commented 6 years ago

Current methods read wavefunction data in plain text format to get the number of radial grid points. However, it is slow especially when using network data access such as samba. Using the size of binary wavefunction data file such as current-wf.bin seems promising in terms working around this problem.

However, think on how to preserve backward compatibility for being capable of analyzing results from standard examples. It can be achieved by first searching the current-wf.bin which is used in rigged-qprop and if the file wasn't found, it falls back to search filename which appears in 'standard example' such as hydrogen_re-wf.dat and read in text mode, which is the current method.

jam31118 commented 6 years ago

Implemented: a2837edb6f7f3bda5df03472e49f3a2ce2ae5e2c