Difference between revisions of "Mpinterfaces"

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[[Category:Software]][[Category:Phylogenetics]]
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[[Category:Software]][[Category:Math]]
 
{|<!--CONFIGURATION: REQUIRED-->
 
{|<!--CONFIGURATION: REQUIRED-->
 
|{{#vardefine:app|mpinterfaces}}
 
|{{#vardefine:app|mpinterfaces}}
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|{{#vardefine:testing|}}      <!--PROFILING-->
 
|{{#vardefine:testing|}}      <!--PROFILING-->
 
|{{#vardefine:faq|}}            <!--FAQ-->
 
|{{#vardefine:faq|}}            <!--FAQ-->
|{{#vardefine:citation|}}      <!--CITATION-->
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|{{#vardefine:citation|1}}      <!--CITATION-->
 
|{{#vardefine:installation|}} <!--INSTALLATION-->
 
|{{#vardefine:installation|}} <!--INSTALLATION-->
 
|}
 
|}
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* HPC_{{uc:{{#var:app}}}}_DIR - installation directory
 
* HPC_{{uc:{{#var:app}}}}_DIR - installation directory
 
* HPC_{{uc:{{#var:app}}}}_BIN - executable directory
 
* HPC_{{uc:{{#var:app}}}}_BIN - executable directory
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* HPC_{{uc:{{#var:app}}}}_LIB - library directory
 
<!--Configuration-->
 
<!--Configuration-->
 
{{#if: {{#var: conf}}|==Configuration==
 
{{#if: {{#var: conf}}|==Configuration==
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If you publish research that uses {{#var:app}} you have to cite it as follows:
 
If you publish research that uses {{#var:app}} you have to cite it as follows:
  
WRITE_CITATION_HERE
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[https://www.sciencedirect.com/science/article/pii/S0927025616302440 If you use MPInterfaces for your work, please cite the paper]
  
 
|}}
 
|}}

Latest revision as of 12:27, 19 August 2022

Description

mpinterfaces website  

Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and without ligands/solvents).

Environment Modules

Run module spider mpinterfaces to find out what environment modules are available for this application.

System Variables

  • HPC_MPINTERFACES_DIR - installation directory
  • HPC_MPINTERFACES_BIN - executable directory
  • HPC_MPINTERFACES_LIB - library directory




Citation

If you publish research that uses mpinterfaces you have to cite it as follows:

If you use MPInterfaces for your work, please cite the paper