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When an observable has two symmetries, KaSim reports twice what's there. If I define with initial condition one single lone symmetric dimer, KaSim reports in the output there are two dimers, even if t…
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Not sure if you're interested but this is Makefile I created that compiles your code:
INCDIR = -I.
DBG = -g
OPT = -O3 -std=c++0x
CPP = g++
CFLAGS = $(DBG) $(OPT) $(INCDIR)
LINK = -lm
.c…
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An overview over all techniques/strategies mentioned:
1. Policy exploration/exploitation
- $\epsilon$-greedy
- Softmax
2. Update Q function
- SARSA
- (k-step) temporal differen…
luwo9 updated
2 months ago
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Right now we aren't using the permutational symmetries of the integrals calculated by `LibintCommunicator` and `LibcintCommunicator`. We could have a speed gain if we would use these permutational sym…
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Hi there, thank you all for this great package.
Are there any approaches to exploit non-abelian symmetry especially SU(2) in spin models using this package? If not, any future plans on this?
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RELION retains the functionality of XMIPP to provide a symmetry definition file as input to the ```--sym``` flag, as described [here](https://github.com/I2PC/xmipp-portal/wiki/Symmetry).
However th…
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Respected Sir,
I was evaluating BCD for system 1H-MoS2 monolayer. As per the literature, the BCD should be zero for system having C3v symmetry. When i add C3v symmetry in system.set_symmetry(["Tim…
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Thanks to the user package SMD (Smoothed Mach Dynamics) SPH can be used to simulate solid materials. Often the problems simulated possess symmetries. However, due to the lack of symmetrical boundary c…
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I have read the commentary
> symmForms: a list of [(board,pi)] where each tuple is a symmetrical
form of the board and the corresponding pi vector. This
…