even though I followed an instruction manual it doesn't take long time compile the above code although it is mentioned as to be gaining more time . I followed the following link to install gamess.Plz help
I would like to find the impact factor of the above journal. The ISSN is 1687-563X. Please help to ensure it. Since I could not through a google search. Thank You/
31 December 2018 8,226 5 View
I try to run a MP2 calculation and I end up with the following, Error ENOSPC: The number of shared memory identifiers for the node has been reached. I ran exetyp=check and I used those values...
02 March 2017 1,843 8 View
I would like to know the error of the attached input file to be run on GAMESS. Thank You,
09 October 2016 6,687 0 View
I want to know why TDDFT excitation calculations are orthogonal in electronic excitation calculations. Is it a disadvantages ...?
06 July 2016 7,128 2 View
How to use HF and RHF depending on the application for energy minimization using quantum chemistry software. Thank You.
05 June 2016 6,817 2 View
I ran a TDDFT calculation but I met this error after DONE WITH TD-DFT EXCITATION ENERGIES .Please help to resolve this error.I attached the output file as well. Thank You.
02 March 2016 8,128 0 View
gcc -ansi -Wall -Wstrict-prototypes -O2 -m486 -DSTERICHOME=~/Downloads/steric/steric -c stermain.cgcc: error: unrecognized command line option ‘-m486’make: *** [stermain.o] Error 1 I got this...
02 March 2016 1,146 2 View
I would like to know the relationship between oscillator strength and the lambda diagnostic since those two factors do not behave as the same for a possible excitation . Thank you.
02 March 2016 1,328 2 View
I want to calculate excitation electron population using gamess .I used AIMPAC key word I could not find .wfn file . Then I used tdprp as well now I have .dat file . Can I use that file to make a...
02 March 2016 9,995 10 View
I would like to know how to calculate the volume of a molecule using Argus lab (preferred) or any other free ware.Please help with the descriptive steps. Thank You.
01 February 2016 5,619 2 View
I need to model an anisotropic material in which the Poisson's ratio ν_12 ≠ ν_21 and so on. Therefore, the elastic compliance matrix wouldn't be a symmetric one. In ANSYS APDL, for TB,ANEL...
09 August 2024 5,048 2 View
Request Python code from this article : Gender equity of authorship in pulmonary medicine over the past decade. THANKS!
08 August 2024 6,242 2 View
Visual Studio Code (VS Code) has become a popular choice among developers for several reasons: 1. **Free and Open Source**: VS Code is free to use and open source, making it accessible to...
07 August 2024 7,013 4 View
There are a huge number of methods for studying objects in space, according to the senses (and not only). Mechanical, thermal, optical, acoustic, electrical, magnetic, based on particle beams,...
06 August 2024 7,102 0 View
As described in the Multifractal detrended fluctuation analysis (MFDFA) algorithm, it at first calculates the profile of the time series, and then other steps are operated on the profile....
05 August 2024 9,366 2 View
I need the python code to forecast what crop production will be in the next decade considering climate and crop production variables as seen in the attached.csv file.
05 August 2024 2,977 3 View
I want to know how do you make real time pcr solation ? is there any machine to make it? thanks for answering
05 August 2024 1,660 0 View
Hello everyone, I am currently working on a research project that aims to integrate machine learning techniques into an open source SIEM tool to automate the creation of security use cases from...
04 August 2024 3,196 2 View
I've seen articles that primarily focus on alpha and beta activity in the frontal regions, but these studies often compare healthy subjects with those having various pathologies. I haven't seen a...
31 July 2024 7,259 1 View
Relativistic space-time is described as a four-dimensional continuum comprising three dimensions of space and one dimension of time. In this framework, space and time are interwoven, forming an...
29 July 2024 5,365 2 View