C++ - Science topic

Rust is gaining traction in system programming due to its memory safety and modern features, with Cloudflare, AWS, and Microsoft adopting it for improved efficiency and security. However, C++ remains dominant in performance-critical domains due to its vast ecosystem, deep hardware integration, and industry inertia. While Rust’s ecosystem is growing, barriers like its learning curve and longer compile times prevent full adoption.

link : https://www.researchgate.net/publication/389282759_Rust_vs_C_Performance_Analyzing_Safe_and_Unsafe_Implementations_in_System_Programming

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Rust is gaining traction in system programming due to its memory safety and modern features, with Cloudflare, AWS, and Microsoft adopting it for improved efficiency and security. However, C++ remains dominant in performance-critical domains due to its vast ecosystem, deep hardware integration, and industry inertia. While Rust’s ecosystem is growing, barriers like its learning curve and longer compile times prevent full adoption.

link : https://www.researchgate.net/publication/389282759_Rust_vs_C_Performance_Analyzing_Safe_and_Unsafe_Implementations_in_System_Programming

With Rust's strong memory safety guarantees and modern development features, could it start controlling domains where C++ has been the dominant choice? While C++ remains essential for high-performance applications, Rust is gaining traction in areas where security, reliability, and maintainability are top priorities. This research explores whether Rust can carve out a significant role in domains traditionally led by C++, balancing safety with performance.

Read the full research paper here:

I am a PhD student currently working on material modeling and have experience implementing material models in ANSYS using user-defined subroutines (usermat.f). I am interested in exploring the possibility of using C++ or C for developing user-defined material models in ANSYS.

Is it feasible to implement user-defined material models in ANSYS using C++/C? If so, could you provide guidance or references on how to proceed with this approach?

The same quastion is about hypela2.f in MSC.MARC.

Hello, I want to estimate the energy cost of a scientific code written in C/C++. I noticed that there is a wider range of software available for high-level languages like Python compared to C or C++. What tools would you recommend as effective for addressing this question? Is there any software that can provide the energy consumption data for different architectures, such as CPUs on one side and GPUs on the other? Thank you in advance.

I wonder if there available data about fluid pressure vs tube diameter/area in elastic tubes in order to validate p-A relations.

This question is related to my paper: Revisiting the pressure-area relation for the flow in elastic tubes: Application to arterial vessels, Series on Biomechanics, vol.32, 1, 2018, 47 - 59.

For the description of the flow behaviour in elastic tubes as arterial vessels, we need a relationship between the transmural (internal minus external) pressure p_tm and the variation in the cross-sectional area A (or diameter), i.e., the pressure-area p-A constitutive relation. However, a literature review shows different relations. In this study, the method based on the linear theory of elasticity is revisited. A new pressure-area p-A relation is proposed. Results for the variation of cross-sectional area, arterial compliance C_c and distensibility D_i are presented. To define a unique threshold value for the applicability of the former equations, all results are presented in dimensionless form using the parameter β_1= E h_0/R_0 (where E is Young’s Modulus, h_0 and R_0 are respectively the vessel wall thickness and the internal radius at p_tm=0). Comparisons with the so-called linear and non-linear p-A equations show that all results are similar for p_tm/β_1 < 0.05. Our results indicate that the former equations could be used with an accepted gap until p_tm/β_1=0.1. However, the inaccuracy increases with p_tm and at p_tm/β_1=0.2, the difference is of 26.7% and 24.6% respectively for the linear and non-linear relations. Proposed equations were applied to arterial vessels with p_tm=150mmHg for radius from 0.8 to 6 mm. Results show an increase in the diameter of 4% for R_0=0.8mm while it is of 30% for R_0=6mm.

I need a C++ code for moving multiobject can be auto-anchor-boxed in video or capture.

thanks！

Mine is sitting here:

I wish to see someone else's.

Object-Oriented Programming

EMMS - Energy Minimization Multi-Scale

I have a function of the form a+(b*r^u) + c*u where a, b, r and c are dependent variables and u is the independent variable.

I am trying to optimize on a, b, r and c by setting a least-squares objective function in COMSOL Multiphysics using the Nelder Mead solver.

I have specified appropriate bounds for the variables, tightening them after each trial when the solver fails to converge, with no solution in sight.

Any recommendations on why it would not converge?

Amrita School of Engineering, Bengaluru campus, is currently accepting applications from highly motivated researchers who possess a strong background in mathematics, computational physics, applied physics, fluid dynamics, or a closely related field. Proficiency in programming languages such as C/C++, MATLAB, or Python is advantageous. Candidates should actively contribute to the team's research efforts. For more details, you may contact: Dr. K. V. Nagaraja - kv_nagaraja@blr.amrita.edu - +91- 98452 23844 ; Dr. T. V. Smitha - tv_smitha@blr.amrita.edu - +91- 9611107480 ; Dr. Naveen Kumar R - r_naveen@blr.amrita.edu - +91- 78296 70202

Hello.

I got a trouble with linking c++ compiler with Abaqus.

I installed Visual Studio 2019 first,

then installed oneAPI base toolkit and HPC toolkit in order.

And I verified link status,

C++ Compiler stuck in trouble only, Linker and Fortran Compiler are OK.

The message is

"C++ Compiler : Unable to create or determine the version of a C++ compiler on this system. If a C++ compiler is installed on this system, please load vcvars64.bat file before running Abaqus".

How could I solve this problem?

I've loaded vcvars64.bat file already.

I look forward to your help from those who have experienced the same problem.

Thanks.

In C++, why is the constructor of a virtual base class called first, while the object of the virtual base class is placed last? What are the advantages of doing this?

This is a code block from nutWallFunction library in OpenFOAM where in, effective kinematic viscosity ($\nut_w$) at the wall is calculated using resolved field(in case of LES)/ mean field(in case of RANS) and $y^+_p$ (wall normal distance of the first cell center). this allows to set a new viscosity value as boundary condition at the wall using log law. Considering the first cell center is in the logarithmic layer of the universal velocity profile.

Now, in this code block of member function defined as nutUWallFunctionFvPatchScalarField::calcYPlus()

There has been iterations done for the yPlus value to reach convergence with maximum of 10 iterations. Why are these iterations needed? and why is the maximum number of iterations 10. I have given a reference of the code below;

tmp<scalarField> nutUWallFunctionFvPatchScalarField::calcYPlus

(

const scalarField& magUp

) const

{

const label patchi = patch().index();

const turbulenceModel& turbModel = db().lookupObject<turbulenceModel>

(

IOobject::groupName

(

turbulenceModel::propertiesName,

internalField().group()

)

);

const scalarField& y = turbModel.y()[patchi];

const tmp<scalarField> tnuw = turbModel.nu(patchi);

const scalarField& nuw = tnuw();

tmp<scalarField> tyPlus(new scalarField(patch().size(), 0.0));

scalarField& yPlus = tyPlus.ref();

forAll(yPlus, facei)

{

scalar kappaRe = kappa_*magUp[facei]*y[facei]/nuw[facei];

scalar yp = yPlusLam_;

scalar ryPlusLam = 1.0/yp;

int iter = 0;

scalar yPlusLast = 0.0;

do

{

yPlusLast = yp;

yp = (kappaRe + yp)/(1.0 + log(E_*yp));

} while (mag(ryPlusLam*(yp - yPlusLast)) > 0.01 && ++iter < 10 );

yPlus[facei] = max(0.0, yp);

}

return tyPlus;

}

My doubt is concerning the do-while loop at the end for yPlus iteration.

In C++, many functions can have the same name, which is function overloading. It works well but I don't find any benefits. Kindly educate me on the benefits of this overloading.

Thanks

You are trying to call a function written in C++ from inside an Abaqus User subroutine.

I've looked for related material, but most of it was done in a Linux environment. Is it possible to implement this in a Window environment?

Animations are known to be a fast and very efficient way of dissemination of knowledge, insights, and understanding of complex systems. Through the animations, quite complicated research can be easily shared among all scientific disciplines.

While starting with complex systems descriptions of Dynamic Recrystallization in metals about almost 30 years ago, it had become very obvious almost instantly that animations carry with themselves a huge expressive power.

This recently led to development of the GoL-N24 open-source Python software that enables to create animations effortlessly. The user just defines the input parameters and the rest is done automatically. Share your software too.

This question is dedicated to all such animations and open-source-source software, which are producing them, in the area of complex systems.

Everyone is welcomed to share their own research in the form of animations with the relevant description.

In Fuzzy Transportation Problem, we bound to subtract fuzzy trapezoidal numbers, if we use them to define uncertain data. Then a negative distribution is raised.We know that in a transportation problem negative distribution is meaningless. A fuzzy trapezoidal number (a,b,c,d)  is said to be negative if a<0. So my question is what is the significance of the negative trapezoidal numbers or how can I explain the negative numbers or using what types of fuzzy arithmetic operations I just simply avoid negative numbers? 

What are the methods and algorithms available to accurately calculate the energy consumption of a C++ code? Please provide a comprehensive explanation including the relevant factors, metrics, and considerations that should be taken into account during the energy consumption calculation process.

...

ifort -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c gmlib2.F90

make: ifort: Command not found

Makefile:69: recipe for target 'gmlib2.o' failed

make: *** [gmlib2.o] Error 127

This is the error I get while executing the make command to install BoltzTrap for Quantum Espresso. Can anyone please help?

Hi there,

I would like to understand numerical hessian calculation in molecular modelling better.

If I estimate the (semi)numerical hessian, so either using the gradient or only the energies for the displaced molecule, I get the hessian matrix. After mass weighting, diagonalisation, taking the root and some unit conversion, I end up with frequencies. In case of imaginary ones, I have a not fully optimsed structure or transition state.

After implementing all this in own code, I ended up with sometimes having imaginary frequencies for structure being in a geometrical equilibrium.

--

--

For smaller molecules, the results fit to the results obtained with another program (some differences due to numerical noise). For larger molecules, there are imaginary frequencies I don't understand.

I found an illustrating whitepaper at

. Why would the force constants be different if the molecule is centered and reorientated, if at all. Is there something else I have overlooked?

The WIP code is located at:

Thanks and best regards,

Conrad

Performance prediction is required to optimally deploy workloads and inputs to a particular machine/accelerator in computing systems. Different predictors (e.g. AI predictors) come with different trade-offs, such as complexity, accuracy, and overheads. Which ones are the best?

Hello everyone

I am going to use C++ instead of Python to read Odb files of Abaqus software so that I can read Odb outputs at high speed without needing Abaqus program.

I have installed Visual Studio 2022 along with C++ compilers and Abaqus 2023 on my system.

To start working, I created a new C++ project in Visual Studio and added all the necessary libraries from the following paths according to the Abaqus guide.

If I try to compile the project in the Visual Studio 2022 IDE, I encounter the following error:

____________________________________________________________________________

____________________________________________________________________________

Also, if I run the following command from the command line, the following error is encountered again:

____________________________________________________________________________

____________________________________________________________________________

I have not installed intel parallel studio. Does Abaqus need to install Intel Parallel Studio to access ODB files?

Please give the necessary guidance on solving program errors.

Thanks

I trained a machine learning model (such as RandomForest) in a Python environment. Now, I'm wondering how can I export the trained model and use it in a C++ environment. Already I have read some ways in this regard. However, I am looking for the simplest way that its documents are widely available.

Thanks, for your answers.

I am trying to find information about ways of determining optimal parameters for the Holt-Winters model. I understand that I should minimize forecasting error, but I still can't find an appropriate optimization method for this purpose. Some researchers find optimal parameters experimentally, some of them use gradient method in Excel or built-in functions in R or Python. I want to implement my own function of finding optimal parameters for this model in C/C++, but I can't find any clear explanations of optimization methods algorithms on the internet. Could anybody help me with this issue?

Hi…is there another Library other than system.encryptographyprovider which includes IDEA encryption provider in C# and C ++…?

I should explain that I welcome any kind of help. Thanks for your cooperation.

Dear Colleagues, I started this discussion to collect data on the use of the Azure Kinect camera in research and industry. It is my intention to collect data about libraries, SDKs, scripts and links, which may be useful to make life easier for users and developers using this sensor.

#python #computer-vision #computer-vision-tools

#data-acquisition #object-detection #detection-and-simulation-algorithms

#camera #images #video #rgb-d #rgb-depth-image

#azure-kinect #azure-kinect-dk #azure-kinect-sdk

#fruit-sizing #apple-fruit-sizing #fruit-yield-trials #precision-fruticulture #yield-prediction #allometry

As it is impossible to use equations here, I am posting the link to my question here.

Link: https://math.stackexchange.com/q/4650679/1136237

Like solve_ivp or odeint in python, which shows warning messages if there arises any discrepancy during runtime, in Boost odint we need to create observer for that. I just want to know is there any predefined observer exist to handel all kind of errors and warnings message, or we have to creat for our own?

I have checked in boost odeint there are odeint_error.hpp and exception.hpp, but they can't be used directly.

I need some help with xml and c++ files for Photon Calorimeters

I am absolutely new in c++ programming and facing many problems converting a simple python code in c++.

Mainly I am facing four following problems in writing python code in c++.

I generally prefer to use the libraries like 'Eigen', 'odeint' etc for reliability. But using libraries in c++ is much harder than in python. I want to convert the code from python to c++ for speed. The following code is written in parallel processing using 'pool'. For each 'Time' it takes a huge amount of time in python.

In the python code I have used 'odeintw' for solving complex differential systems of equations instead of 'solve_ivp' for better speed and 'nquad' instead of 'dblquad' for double integration to increase the 'limit: 500' from default 'limit: 50'.

It will be very much helpful if someone helps me to write the python code in c++.

How good is a Carbon programming language?

The codes to plot the cross-section vs energy curve and also the research article that might help in understanding, theoretically and mathematically, the reactions of the form: A^+ + B^- --> A^- + B^+

Where, A is an atom and B could be an atom or a molecule.

Hello all,

I am trying to get the band structure of a 3x3 phosphorene sheet. In nscf calculation part , I get message written in "out" file which says:

"Band Structure Calculation

Davidson diagonalization with overlap

c_bands: 2 eigenvalues not converged

c_bands: 1 eigenvalues not converged

c_bands: 1 eigenvalues not converged

.

.

c_bands: 1 eigenvalues not converged"

I want to know the reason of this message. This message wont come when I tried the same calculation for unit cell.

I am also attaching the out file. Please have a look and if there is any suggestion please let me know.

k-means clustering code in C++

Hi

I am new to microservice. I have two C++ functions which exchange data( to start with simple numerical data) among them which I want to convert as microservices.

How I can design the API so that inter communication can be achieved. Looking for any references/advice.

Thank You in advance

Sreeraj

Hi,

I am thinking about Solitons modeling and would like to know which “out of the box” software products are readily available and how they compare with developing one’s own Linux/Unix based package e.g. in C/C++ or Java??

Replies from Experienced N Solitons modeling researchers with links will be much appreciated!

Open Source solutions are Always Preferred ones.

Best regards,

George Yury Matveev

# (c) Silvaco Inc., 2015

# CREATE SOLAR CELL IN ATHENA

go atlas simflags="-P 1"

mesh width=1e12

x.mesh loc=0.00 spac=0.5

x.mesh loc=1.00 spac=0.5

y.mesh loc=0.00 spac=0.05

y.mesh loc=12.0 spac=0.05

y.mesh loc=37.0 spac=0.05

#Region

region number=1 x.min=0 x.max=1 y.min=0.1 y.max=18 user.material=TiO2&Dye

region number=2 x.min=0 x.max=1 y.min=18 y.max=36.9 user.material=Electrolyte

#Electrode #1=anode #2=cathode#

electrode name=anode number=1 x.min=0 x.max=1 y.min=0 y.max=0.1

electrode name=cathode number=2 x.min=0 x.max=1 y.min=36.9 y.max=37

#Doping

doping uniform conc=1e+9 p.type x.left=0 x.right=1 y.top=0.1 y.bottom=18 direction=y

#doping uniform conc=1e+12 n.type x.left=0 x.right=1 y.top=18 y.bottom=36.9 direction=y

material material=TiO2&Dye user.default=Silicon user.group=Semiconductor

material material=Electrolyte user.default=Silicon user.group=Semiconductor

material material=TiO2&Dye permi=50 affinity=4.0 eg300=1.5 nc300=2.8e19 nv300=1.9e19

material material=Electrolyte permi=3.5 affinity=3.4 eg300=0.93 nc300=2.8e19 nv300=1.9e19

material material=TiO2&Dye sopra=Tio2.nk

material material=Electrolyte sopra=Lif.nk

material material=Electrolyte qe.exciton=1.0

material material=Electrolyte knrs.exciton=1.82694e6 lds.exciton=0.0 taus.exciton=1.0e20 rst.exciton=1.0

material material=Electrolyte a.singlet=2 s.binding=0.004

material material=TiO2&Dye mun=0.3 mup=3e-4

material material=Electrolyte mun=7.07e-2 mup=7.07e-2

contact name=anode workfunction=4.4

contact name=cathode workfunction=4.4

structure outf=solarex01_0.str

# FIRST ATLAS RUN TO FIND SHORT CIRCUIT CURRENT AND OPEN CIRCUIT VOLTAGE

go atlas

mesh infile=solarex01_0.str

# set contact material to be opaque

material material=Aluminum imag.index=1000

material material=TiO2&Dye user.default=Silicon user.group=Semiconductor

material material=Electrolyte user.default=Silicon user.group=Semiconductor

material material=TiO2&Dye permi=50 affinity=4.0 eg300=1.5 nc300=2.8e19 nv300=1.9e19

material material=Electrolyte permi=3.5 affinity=3.4 eg300=0.93 nc300=2.8e19 nv300=1.9e19

material material=TiO2&Dye sopra=Tio2.nk

material material=Electrolyte sopra=Lif.nk

material material=Electrolyte qe.exciton=1.0

material material=Electrolyte knrs.exciton=1.82694e6 lds.exciton=0.0 taus.exciton=1.0e20 rst.exciton=1.0

material material=Electrolyte a.singlet=2 s.binding=0.004

material material=TiO2&Dye mun=0.3 mup=3e-4

material material=Electrolyte mun=7.07e-2 mup=7.07e-2

material material=TiO2&Dye taun0=1e-6 taup0=1e-6

material material=Electrolyte taun0=1e-6 taup0=1e-6

# set light beam using solar spectrum from external file

beam num=1 x.origin=10.0 y.origin=-2.0 angle=90.0 power.file=solarex01.spec

# saves optical intensity to solution files

output opt.int

models conmob fldmob consrh print

solve init

solve previous

# get short circuit current

log outf=solarex01_0.log

solve b1=1

extract name="short_circuit_current" max(abs(i."cathode"))

save outf=solarex01_1.str

# get open circuit voltage

solve init

solve previous

contact name=cathode current

solve icathode=0 b1=1

extract name="open_circuit_voltage" max(abs(vint."cathode"))

save outf=solarex01_2.str

tonyplot solarex01_2.str -set solarex01_2.set

# SECOND ATLAS RUN FOR SPECTRAL RESPONSE

go atlas

mesh infile=solarex01_0.str

# set contact material to be opaque

material material=Aluminum imag.index=1000

material material=TiO2&Dye user.default=Silicon user.group=Semiconductor

material material=Electrolyte user.default=Silicon user.group=Semiconductor

material material=TiO2&Dye permi=50 affinity=4.0 eg300=1.5 nc300=2.8e19 nv300=1.9e19

material material=Electrolyte permi=3.5 affinity=3.4 eg300=0.93 nc300=2.8e19 nv300=1.9e19

material material=TiO2&Dye sopra=Tio2.nk

material material=Electrolyte sopra=Lif.nk

material material=Electrolyte qe.exciton=1.0

material material=Electrolyte knrs.exciton=1.82694e6 lds.exciton=0.0 taus.exciton=1.0e20 rst.exciton=1.0

material material=Electrolyte a.singlet=2 s.binding=0.004

material material=TiO2&Dye mun=0.3 mup=3e-4

material material=Electrolyte mun=7.07e-2 mup=7.07e-2

material material=TiO2&Dye taun0=1e-6 taup0=1e-6

material material=Electrolyte taun0=1e-6 taup0=1e-6

# set monochromatic light beam for spectral analysis

beam num=1 x.origin=10.0 y.origin=-2.0 angle=90.0

# saves optical intensity to solution files

output opt.int

models conmob fldmob consrh print

# spectral response

solve init

solve previous

solve previous b1=0

log outf=solarex01_2.log

solve b1=1 beam=1 lambda=0.3 wstep=0.025 wfinal=1.0

tonyplot solarex01_2.log -set solarex01_3.set

# The "Available photo current" accounts for absorption in semiconductor regions only.

# Users interested in the overall absorption need to calculate EQE as:

# EQE=I anode / I Source Photo Current * Absorption

extract init inf="solarex01_2.log"

extract name="IQE" curve(elect."optical wavelength", \

-(i."anode")/elect."available photo current") outf="IQE.dat"

extract name="EQE" curve(elect."optical wavelength", \

-(i."anode")/elect."source photo current") outf="EQE.dat"

extract name="EQE2" curve(elect."optical wavelength", \

-(i."anode")/elect."source photo current"*elect."Absorption") outf="EQE2.dat"

tonyplot IQE.dat -overlay EQE2.dat -set solarex01_1.set

# THIRD RUN FOR I-V CHARACTERISTICS

go atlas

mesh infile=solarex01_0.str

# set contact material to be opaque

material material=Aluminum imag.index=1000

material material=TiO2&Dye user.default=Silicon user.group=Semiconductor

material material=Electrolyte user.default=Silicon user.group=Semiconductor

material material=TiO2&Dye permi=50 affinity=4.0 eg300=1.5 nc300=2.8e19 nv300=1.9e19

material material=Electrolyte permi=3.5 affinity=3.4 eg300=0.93 nc300=2.8e19 nv300=1.9e19

material material=TiO2&Dye sopra=Tio2.nk

material material=Electrolyte sopra=Lif.nk

material material=Electrolyte qe.exciton=1.0

material material=Electrolyte knrs.exciton=1.82694e6 lds.exciton=0.0 taus.exciton=1.0e20 rst.exciton=1.0

material material=Electrolyte a.singlet=2 s.binding=0.004

material material=TiO2&Dye mun=0.3 mup=3e-4

material material=Electrolyte mun=7.07e-2 mup=7.07e-2

material material=TiO2&Dye taun0=1e-6 taup0=1e-6

material material=Electrolyte taun0=1e-6 taup0=1e-6

# set light beam using solar spectrum from external file

beam num=1 x.origin=10.0 y.origin=-2.0 angle=90.0 power.file=solarex01.spec

# saves optical intensity to solution files

output opt.int

# saves beam intensity to the log files

probe name=inten beam=1 intensity

models conmob fldmob consrh

solve init

solve previous

log outfile=solarex01_3.log

solve vcathode=-0.01 vstep=-0.01 vfinal=-1*$open_circuit_voltage name=cathode

log off

solve init

solve previous

solve b1=1

log outfile=solarex01_4.log

solve vcathode=-0.01 vstep=-0.01 vfinal=-1*$open_circuit_voltage \

name=cathode b1=1

log off

tonyplot solarex01_3.log -overlay solarex01_4.log -set solarex01_4.set

extract init infile="solarex01_4.log"

extract name="Jsc (mA/cm2)" $short_circuit_current*1e08*1e03/20

extract name="Power" curve(v."cathode", (v."cathode" * i."cathode" *(-1))) \

outf="P.dat"

extract name="Pmax" max(curve(v."cathode", (v."cathode" * i."cathode" *(-1))))

extract name="V_Pmax" x.val from curve(v."cathode", (v."cathode"*i."cathode"))\

where y.val=(-1)*$"Pmax"

extract name="Fill Factor" ($"Pmax"/($"short_circuit_current"*$"open_circuit_voltage"))

extract name="intens" max(probe."inten")

extract name="Eff" ($Pmax/($"intens"*20/1e8))

tonyplot P.dat

quit

Hi, I am looking someone who is expert in ns3 and C++ to help me to modify a source code.

Hi,

I am not from C++ or Microservice background. Requirement is to to build a simple microservice using C++ and Integrate with Docker and run on Linux.

Any toolchain/tutorial recommendation will be much appreciated.

Thanks in advance

Sreeraj Arole

Hello,

I am working on a pre-analysis plan for an experiment that I want to conduct. The experiment is about productivity behaviour. Participants solve matrices and the number of matrices solved my primary outcome variable (i.e. productivity).

There are 2 groups:

1.) Treatment Group: Working under stimulus

2.) Control Group: Working without stimulus

In the beginning of the experiment, I conduct a baseline-phase to check whether potential differences in productivity may stem from differing baseline abilities.

My hypothesis states that productivity in both groups is the same.

What is the best way to investigate the hypothesis?

a) First check for differences in baseline ability and then conduct a nonparametric / parametric test?

b) Use a linear regression model, use a dummy on the treatment group and include baseline productivity as a control variable?

c) Is it even better to conduct both (e.g. Mann-Whitney U-Test and a subsequent linear regression) to arrive at more compelling results? Or would that approach even be counterproductive?

Kind regards and thanks for you help!

stderr: [13:02:17] non-ring atom 40 marked aromatic

stderr: Traceback (most recent call last):

stderr: File "/ams/ams2021.106/bin/libtcl.tcl/rdkitdriver.py", line 502, in <module>

stderr: rmsopt=float(sys.argv[8]), fixchiral=sys.argv[9])

stderr: File "/ams/ams2021.106/bin/libtcl.tcl/rdkitdriver.py", line 37, in GenerateConformers

stderr: Chem.AssignAtomChiralTagsFromStructure(m)

stderr: Boost.Python.ArgumentError: Python argument types in

stderr: rdkit.Chem.rdmolops.AssignAtomChiralTagsFromStructure(NoneType)

stderr: did not match C++ signature:

stderr: AssignAtomChiralTagsFromStructure(RDKit::ROMol {lvalue} mol, int confId=-1, bool replaceExistingTags=True)

hello, I have seen some thesis cited the QP solver named Hildreth algorithm, i want to learn more details,but i cannot find a text or thesis fully explained this algorithm, could someone help me? An example or c++ code will be the best,thanks!

I am having linker errors while running bazle build script in tensorflow from source on windows 10 with gpu enabled. Any help or information regarding the same will be greatly helpful.

Hi everyone!

I tried calling VGETVRM inside of a VUSDFLD written in c++ to get the stress

results of the analysis . It looks like the results array (rdata) has 0 values

and the jStatus is always equal to 1.

Has anyone faced the same situation?

(I have the forward declaration of the fortran subroutine and included the aba_for_c.h

extern "C" void vgetvrm(char const *var, float *rData, float *jData, char **const cData ,int *jStatus);

)

I'm starting to use Vim for C++ coding and I would like to know of some pluggins or modifications that are used by people with experience.

Hi,

I want to ask you: 'Which programming languages do you prefer to use for implementing software in Structural Engineering? (PYTHON, C++, or anything else)'

Recently I have heard about PYTHON and its application in my major, but still, I have doubts about choosing it or C++.

If you think there is a better programming language for implementing software in Structural Engineering, please share your opinion with me regarding the mentioned question. I will be more than happy to receive your suggestions.

Thanks

I am specifically trying to analyze:

x_dot = a*x*(1-x)*(1-y)

y_dot = y*(1-y)*(c*(1-x)-b)

where {0<= x, y <=1}. Stability of fixed point at (1-b/c, 1)?

Hello community,

I am working on my MSc. project that part of it consist in translating a XML extracted code into a C++ for arduino, i've been searching for nearly a month for the best options, i would like to have some of your suggestions

Thank you.

Hello, everyone

I have two NVIDIA VGA Cards, whose model names are identical.

When coding CUDA C++ for CNN Deep Learning,

if batchsize = 4, I can do parallel processing

so that each process runs two batches

using cudaSetDevice

But, for fully connected layers,

some codes need to do intra batch summation

In this case, how should I code to do parallel processing?

Thank you in advance and have a nice day

I try to run headers files containing in the nr3 the art of scientific computing with c/c++. Is there some tips ?

The problems I am currently considering are strongly related to shape optimization, especially isogeometric shape optimization. I have implemented MATLAB code that supports multi-level shape optimization and I am wondering if there is a reference implementation using MATLAB or C++. During my search, I found that the topology optimization community does a great job on open-source implementations. By contrast, why is there so little open-source toolbox in the shape optimization community?

My questions are summarized as follows:

Example:

For 3 bus bar system we have a following equation

C=Sum(ax^2+bx+c) for i=1 to N

Then how we can replace the cost coefficient value for a,b and c.

Are they random numbers or do we need to take from particular data sheet.

I am trying to work in FLAC 8.0 (64-bit software) with User-Written Model (UDM).

1. As per the manual, I need to install Visual Studio 2015, then install 'vs_proweb.exe' (a software patch for VS2010)...however, I failed to install 'vs_proweb.exe' as Microsoft removed this software from their server.

2. Or, I need to install VS 2010, then install “FLAC800VS201xAddin.msi” and choose

the “FLAC800 Constitutive Model” project. Here, my installed 'Visual Studio C++ 2010 Express' failed to detect any Itasca FLAC C++ template due to unknown reasons.

3. Now, with the help of Itacsa FLAC support, I have tried to configure a Win32 project template for UDM (C++) in FLAC by using FLAC 7.0 manual. But, this manual is for creating 32 bit DLLs in VS2005. Instructions for creating 64bit DLLs in VS2010 are inadequate and incomplete to me.

4. Besides, I have installed SDK 4.7 to configure VS 2010 for creating 64bit files as suggested in an online forum. However, I failed to build a 64-bit project. Error msg: The "ConfigurationGeneral" rule is missing from the project.'.

Therefore, if anyone kindly sends me a detailed step-by-step guide for creating a 64 bit DLLs in VS2010 Express (C++) for loading in FLAC 8.0 or any other support material, I will be highly obliged.

Thank you in advance,

Regards,

Dipaloke

I am trying to write a User-defined Model in C++ for FLAC in Visual Studio Express 2010 c++. Initially, I am trying to run(debug and build) the built-in Strain-softening Model based on the Mohr-Coulomb criterion (Available in FLAC 8.0) by changing its name only from 'ssoft' to 'i_ssoft'. However, I am getting the following error msg:-

From the error code, it is clear that I need to add models::ConstitutiveModel::getPluginName library which I have tried  (a screenshot is attached), but still, I am getting the same error.

Anyone, please suggest to me any appropriate solution for my problem. Kindly, inform me if you need any further information from my end.

Hello experts,

I hope you're good.

I am trying to generate non binary (optimized) lfrs sequence on the fly with c.

But I am missing something, I don't get what ...

attached is the code ....

I trying to install vina using pip and get this error(see file). I think the problem is that boost is not added to path. I have tried various tips posted on stackoverflow threads, read the boost docs for working with python and even watched the videos about how to install boost, but have not been able to solve this problem.

Apart from using pip I tried to install via conda following this manual:

Error not fixed. How i can add boost to path? After installing boost via bootstrap.bat and then .\b2 i get 2 links, but if i add it to PATH variable it doesn't solve this problem. I want to try use Vina scripts in python file

Has anyone been able to install Autodock Vina via pip or conda?

Brief output:

...

ValueError: Boost library location was not found!

Directories searched: conda env, /usr/local/include and /usr/include.

I am trying to use GPU Accerlation for GROMACS 2020.3.

I have installed cuda 11.0 and my NVIDIA graphics card driver is gt-force mx130

and i am running ubuntu 20.04

but when i run the command : gmx -version

I got this

GROMACS version: 2020.3

Verified release checksum is c0599e547549c2d0ef4fc678dc5a26ad0000eab045e938fed756f9ff5b99a197

Precision: single

Memory model: 64 bit

MPI library: thread_mpi

OpenMP support: enabled (GMX_OPENMP_MAX_THREADS = 64)

SIMD instructions: AVX2_256

FFT library: fftw-3.3.8-sse2-avx-avx2-avx2_128

RDTSCP usage: enabled

TNG support: enabled

Hwloc support: disabled

Tracing support: disabled

C compiler: /usr/bin/cc GNU 9.3.0

C compiler flags: -mavx2 -mfma -fexcess-precision=fast -funroll-all-loops -O3 -DNDEBUG

C++ compiler: /usr/bin/c++ GNU 9.3.0

C++ compiler flags: -mavx2 -mfma -fexcess-precision=fast -funroll-all-loops -fopenmp -O3 -DNDEBUG

how would i make GPU support: enabled?

I was wondering how could I apply OOP (C++) in computational biosciences? I want my semester project of OOP to link with it somehow, innovatively.

can anyone suggest the best way to find the accurate execution time of math.h library functions such as sqrt(), log(), log10(), sin(), cos() e.t.c?

I'm a PGRs student, I would like to implement a new clustering algorithm using NS3, I have basic information in programming skills and I read about the object oriented c++ and NS3, I tried to create my network and deploy the node and the sink, is anyone has a good idea on how I can do this is NS3 or how I can start this, i'm so confused and do not know what can one do. Thank you for helpingv.

I would like to remotely trigger capture start and stop in Vicon using MATLAB on an external laptop, so that I can synchronise a code I have that records Radar data with motion capture data from Vicon. Many sources online, including Vicon, suggest that that this can be done by using UDP packages. These packages need to be sent via a script which I create and then they sent via a network cable to the Vicon System PC from the Matlab PC. Vicon support has provided me this link (https://docs.vicon.com/pages/viewpage.action?pageId=133824766) which gives a C++ example on how to do this (this is from the Shogun software but the details here are the most up to date and will work with Nexus). Any ideas on how to do this in a MATLAB script?

Any help is much appreciated.

I am working on grain growth model. I have to assign each grain having different orientation. How can I write C++ code of it?

I am looking for open-source algorithms to detect plagiarism in programming languages like python, java, c, c++, javascript, etc

I am working on an AI project where I am using C++ and Tensor flow functions. Is there a way to combine them together using Edge impulse?

Hi All,

I have to compare performance of two algorithms in context of their time complexity. I have developed the C++ code for those algos and they output desired results but when I use Chrono to measure the delta time, it comes out to be zero, even tried other way to measure delta clock time but no success. I know with powerful window machines, it's sometimes extremely fast to process thousands of loops/instructions but when the measured time is zero, it doesn't provide any useful info on the time complexity of those algos.

Is there a suggestion to deal with this? I greatly appreciate all the help.

Thanks!