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Where did the old technique with setting a large positive value for the negative eigenvalue go? We've mostly replaced it with the new, "natural" TSFF where we just set the weight to zero, but there ar…
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Hi,
The Debian Package Auto-Building project has detected that python-igraph fails to build on various architectures because of testsuite failures. This makes our Debian package fails to build from s…
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I've encountered an error when reading the eigenvalues of a SOL145 flutter solution.
The error output by pyNastran (v 8.0) is the following:
op2.eigenvalues
Traceback (most recent call last):
Fil…
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Right now, it just returns `false`. It is the only centrality measure that does this.
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Hi,
I was unable to find a way to combine modes in prody. Is there a way it can be done?. Thanks in advance for any input.
Regards,
Arko
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Please add the excel calculations "stuff" to the Excel directory in the root of the repo. There are 2 calculations now, the "limiting geometric average" and the "eigenvector geometric average" method…
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After comparing Daniele Dragoni's commandline for phonons with mine, it seemed like the behaviour `phonon_supercell` is causing issues. Running the following with recent versions of quippy gives nonze…
tdaff updated
8 years ago
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Currently, the near-null vectors required for multigrid are not calculated in QUDA, but must be loaded from some external source. Support for the calculation of these near-null vectors should be adde…
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The following test cases fail on my laptop with commit f07391b121504bb354cefc701283e4e832391da9
```
CASSCF-3..................................................DOES NOT MATCH
CASSCF-4.........…
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i tried to load PCA model by pca calculated data. i have the below PCA data to load PCA model
-Mean
-eigenvectors
-eigenvalues
PCA component - 7
Num of row (x,y,z,x,y,z..) - 15420
i need pca_ba…