Difference between revisions of "Mpinterfaces"
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(Created page with "Category:SoftwareCategory:Phylogenetics {|<!--CONFIGURATION: REQUIRED--> |{{#vardefine:app|mpinterfaces}} |{{#vardefine:url|https://github.com/henniggroup/MPInterfaces...") |
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| − | [[Category:Software]][[Category: | + | [[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--> | + | |{{#vardefine:citation|1}} <!--CITATION--> |
|{{#vardefine:installation|}} <!--INSTALLATION--> | |{{#vardefine:installation|}} <!--INSTALLATION--> | ||
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==System Variables== | ==System Variables== | ||
* 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}}}}_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: | ||
| − | + | [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
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