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Author Commit Message Labels Comments Date
Default avatar jmht
Comment out Gaussian test as it won't work with the new dictRefs.
Default avatar jmht
Changed hostname to hostName.
Default avatar jmht
Add DFT Functional to template.
Default avatar jmht
Rationalised names to match the changes to the compchem convention.
Default avatar jmht
NWChem importer test.
Default avatar jmht
Changes for the new data model.
Default avatar jmht
Test files for NWChem.
Sam Adams avatarSam Adams
fixed dependency management
Sam Adams avatarSam Adams
Update dependencies
Sam Adams avatarSam Adams
Refactoring CompChem Importers
Sam Adams avatarSam Adams
Tidying poms
Sam Adams avatarSam Adams
Fixed pom.xml warnings
Sam Adams avatarSam Adams
Fixed lots of checkstyle violations
Sam Adams avatarSam Adams
Fix gaussian log file in comp template
Sam Adams avatarSam Adams
Fixed NWChem Log File link
Sam Adams avatarSam Adams
Fix relative/absolute URIs in compchem + crystallography templates
Sam Adams avatarSam Adams
Fix to SwordClient package deposit
Sam Adams avatarSam Adams
Updates for CLI tools
Sam Adams avatarSam Adams
Made css pluggable
Sam Adams avatarSam Adams
Generate search forms dynamically
Sam Adams avatarSam Adams
Simplifying configuration injection
Sam Adams avatarSam Adams
Tidying up SparqlBuilder
Sam Adams avatarSam Adams
Refactoring chemical importers to share more code
Sam Adams avatarSam Adams
Tidying up imports
Sam Adams avatarSam Adams
Refactored inchi generation
Sam Adams avatarSam Adams
Renamed class
Sam Adams avatarSam Adams
Refactoring chemistry importers
Sam Adams avatarSam Adams
Refactored deposit processing
Sam Adams avatarSam Adams
Migrated to packages to chempound.net
Sam Adams avatarSam Adams
migration to new client utils
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