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cp2k/tests/QMMM
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Da Teng 72e1b4a66a
Fist: Add switch to turn off real space electrostatics
2023-06-30 15:12:06 +02:00
..
DFTB do_regtest: Make reference values mandatory 2020-01-28 12:07:44 +01:00
QS Fist: Add switch to turn off real space electrostatics 2023-06-30 15:12:06 +02:00
SE Do not print restart and trajectory files 2023-05-05 18:20:33 +02:00
xTB do_regtest: Make reference values mandatory 2020-01-28 12:07:44 +01:00