I want to print the hessian and gradie t matrix in mass weighted unit.
I often write a code reading the force and hessian printed by Gaissian and convert them to what I want.
May I ask for your help in writing the code , which can convert Cartesian gradient and hessian to mass-weighted unit?@Zhaoxi Sun
Let F be a field. Consider U, the set of n times n strictly upper triangular matrices in F. For X, Y in U, we call them similar if there exists some S, which is non-degenerate and upper...
01 March 2021 2,957 8 View
Also when RHAMM binds hyaluronic acid, they get internalized, will RHAMM also be degraded? Or both CD44 and RHAMM will be transferred back to the cell membrane? Asking for breast cancer cell line...
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When explaining substitution models, the substitutions are expressed as Q matrix. Why is the sum of the elements in a row zero?
28 February 2021 3,864 3 View
How would define the "good" and "poor" distribution of particles within the matrix. Is there a quantitative solution to assess the distribution of the particles, which then having denotation of...
28 February 2021 7,397 8 View
Hello. I have a skewed elliptical coordinate system (I use alternative elliptical coordinates). And I need to determine connections between coordinates in order to fetch a covariance matrix of...
28 February 2021 364 3 View
I am working on developing a micromechanical FE model for predicting kink-band formation in UD composites. To model matrix plasticity, which model, out of Concrete Damaged Plasticity and...
28 February 2021 5,415 1 View
Respected Professor's i hope you are doing well and happy. i need some information about carbon Nanotubes. before blending the CNT with the matrix the CNT has been introducing in some treatments....
24 February 2021 5,383 5 View
in the function rbingham(n,A) in R software how can I construct that A (symmetric) matrix?
24 February 2021 3,528 3 View
Hello, I have run into an issue that has sparkled a debate at work: is the LLOQ/ULOQ impacted by injection volume under the following circumstances: 1) Same dilution factor of all samples 2)...
23 February 2021 9,159 3 View
Hi, Some background to my question: I have fitted 1st order multinomial Markov models with covariates. Since all probabiilties (for each row of the transition matrix) sum to 1, I estimate only...
22 February 2021 2,541 4 View