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Take advantage of Open Source Load Balancer to elevate your business security and IT infrastructure with a custom ADC Solution.
Boost application security and continuity with SKUDONET ADC, our Open Source Load Balancer, that maximizes IT infrastructure flexibility. Additionally, save up to $470 K per incident with AI and SKUDONET solutions, further enhancing your organization’s risk management and cost-efficiency strategies.
Gabedit is a Graphical User Interface for FireFly (PC-Gamess), Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem computational chemistry packages.
Quantum Chemistry Import Tool is a django application that parses the output file of quantum chemistry software as NWChem, Octopus, Gaussian, etc. The result can be saved in relational database.
is a molecular viewer & model builder for quantum chemistry programs. It has an interface with NWChem, CP2K and PC GAMESS/Firefly quantum programs. http://www.biomolecular-modeling.com/Products.html
nwbas2ecce converts nwchem basis set files to the ECCE format
The basis sets included with ECCE have -- as far as I can tell -- not been updated for many years. In addition, many of the newer basis sets that come with nwchem aren't included, such as the def2- series.
nwbas2ecce is a python script that aims to automate as much as possible of the conversion process of a nwchem basis set file into the files necessary for ECCE to included it in the basis set tool.
The process isn't completely automatic, but I also believe that it shouldn't be to avoid...
Venn isolates and protects work from any personal use on the same computer, whether BYO or company issued.
Venn is a secure workspace for remote work that isolates and protects work from any personal use on the same computer. Work lives in a secure local enclave that is company controlled, where all data is encrypted and access is managed. Within the enclave – visually indicated by the Blue Border around these applications – business activity is walled off from anything that happens on the personal side. As a result, work and personal uses can now safely coexist on the same computer.
Calculates frequencies/modes from an nwchem generated hessian
This is a simple Octave script which calculates the frequencies/normal modes from an nwchem generated hessian matrix. The advantage of having a separate script for this is that you can use the same hessian to calculate frequencies for different isotopic substitutions i.e. you only have to run one nwchem calculation.
The script is finished in its current form in the sense that it is feature complete. Feel free to amend, translate, copy, steal etc.
See the README in the code repository...