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Yifan Li
2023-03-15 17:25:25 -04:00
parent 4e0af69b67
commit 5071b2f016
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doc/src/fix_pimd.rst
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@ -106,7 +106,9 @@ would be 3 x N x P x Nc.
Fix *pimd/nvt* implements a complete velocity-verlet integrator
combined with NH massive chain thermostat, so no other time
integration fix should be used.
Similarly fix *pimd/langeving* implements ...
Fix *pimd/langevin* implements a complete velocity-verlet integrator
combined with Langevin thermostat in the normal mode representation, and
also provides a barostat to sample the NPH/NPT ensembles.
The *method* keyword determines what style of PIMD is performed. A
value of *pimd* is standard PIMD. A value of *nmpimd* is for