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Fixed tau_max

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Anthony Scemama 2021-02-04 17:26:30 +01:00
parent efb48d936f
commit 5baa6aaf74
1 changed files with 3 additions and 3 deletions
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@ -2412,7 +2412,7 @@ gfortran hydrogen.f90 qmc_stats.f90 vmc_metropolis.f90 -o vmc_metropolis
E_L(\mathbf{r}_n)$,
and the weight $W(\mathbf{r}_n)$ for the normalization
5) Update $\tau_n = \tau_{n-1} + \delta t$
6) If $\tau_{n} > \tau_\text{max}$, the long projection time has
6) If $\tau_{n} > \tau_\text{max}$ ($\tau_\text{max}$ is an input parameter), the long projection time has
been reached and we can start an new trajectory from the current
position: reset $W(r_n) = 1$ and $\tau_n
= 0$
@ -2457,7 +2457,7 @@ gfortran hydrogen.f90 qmc_stats.f90 vmc_metropolis.f90 -o vmc_metropolis
In the limit $\delta t \rightarrow 0$, you should recover the exact
energy of H for any value of $a$, as long as the simulation is stable.
We choose here a time step of 0.05 a.u. and a fixed projection
time $\tau$ =100 a.u.
time $\tau_{\text{max}}$ =100 a.u.
#+end_exercise
*Python*