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pytc.test.test_xtc_block.get_h2o_sto6g¶

pytc.test.test_xtc_block.get_h2o_sto6g()[source]¶: Return H2O molecule with STO-6G basis.

pytc.test.test_xtc_delta_u_chunking

pytc.test.test_xtc_block.TestXTCBlock

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pytc.test.test_xtc_block.get_h2o_sto6g
- get_h2o_sto6g()