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Fix/parsing lattice file #16

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MBueschelberger merged 4 commits into main from fix/parsing-lattice-file

Aug 31, 2023

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MBueschelberger commented Aug 30, 2023

lattice and molecule are now direcly read from file via plams, not from CUDS

MBueschelberger and others added 4 commits

August 30, 2023 22:30


          make references to original file instead of parsing them

dddae17


          update code with respect to parsing of structures

6c56574


          update unit tests

7cb7217


          debug energy landscape refinement

MBueschelberger merged commit 2cd8902 into main

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