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Remove threading #186

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merged 15 commits into from
Nov 29, 2022
Merged

Remove threading #186

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31a849e
Remove threading, add old vector tracking
mtsch Nov 23, 2022
d3dab0b
Fix up step_stats
mtsch Nov 23, 2022
b539370
Move `fciqmc_step!` into Intefaces (?)
mtsch Nov 23, 2022
d2b5e21
Fix a test
mtsch Nov 23, 2022
e384495
Fix allocation tests
mtsch Nov 23, 2022
413bf43
Really fix allocation tests
mtsch Nov 23, 2022
271af04
Again
mtsch Nov 23, 2022
be8c238
Change test in example script to exact energy with bigger tolerance
mtsch Nov 23, 2022
1e55eb3
Rename functions and arguments, fix docs
mtsch Nov 24, 2022
9b5d5e7
Fix docstring
mtsch Nov 24, 2022
d5f97a0
Better docstrings, don't return source from fciqmc_step!
mtsch Nov 24, 2022
9b05205
More docstring clarifications.
mtsch Nov 25, 2022
a0bfe33
Fix alloc tests
mtsch Nov 25, 2022
110b18c
Fix alloc tests part ii
mtsch Nov 25, 2022
4f89c97
Update src/Interfaces/dictvectors.jl
mtsch Nov 29, 2022
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Fix docstring
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@mtsch
mtsch committed Nov 24, 2022
commit 9b5d5e7026b0651984d0cbd2191b242cc6fb9b99
4 changes: 2 additions & 2 deletions src/Interfaces/dictvectors.jl
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Expand Up @@ -101,8 +101,8 @@ Perform a single matrix(/operator)-vector multiplication:
v^{(n + 1)} = [1 - dτ(\\hat{H} - S)]⋅v^{(n)} ,
```

where ``Ĥ`` is the `hamiltonian`, ``S`` is the `shift`, v^{(n+1)} is the `target` and
v^{(n)} is the `source`.
where ``Ĥ`` is the `hamiltonian`, ``S`` is the `shift`, ``v^{(n+1)}`` is the `target` and
``v^{(n)}`` is the `source`.

Whether the operation is performed in stochastic, semistochastic, or determistic way is
controlled by the trait `StochasticStyle(w)`. See [`StochasticStyle`](@ref).
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