Commit bf931d89 authored by Thomas Ple's avatar Thomas Ple

Changed description of PIM_qtb module

parent 89e27803
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......@@ -297,7 +297,9 @@ The function is given in the phase-space representation and is the basis for any
./modules/PIM_qtb/readme
**PIM_qtb** implements various classical and semi-classical methods based on Langevin dynamics (classical Langevin dynamics, Quantum Thermal Bath (QTB) and two variants of adaptive QTB (adQTB-r and adQTB-f). The generated trajectories can be used to sample initial conditions for intramolecular vibrational-energy redistribution (IVR) dynamics.
**PIM_qtb** implements different methods based on Langevin dynamics. The trajectories generated can be exploited directly or used to sample initial conditions for
Linearized Semi-Classical Initial Value Representation (LSC-IVR) calculations.
The methods implemented are: classical Langevin dynamics, Quantum Thermal Bath (QTB) and two variants of adaptive QTB (adQTB-r and adQTB-f).
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