Skip to content
Snippets Groups Projects

Repository graph

You can move around the graph by using the arrow keys.
Select Git revision
  • master default protected
1 result
Created with Raphaël 2.2.012Mar1128Jun1376422May30Jan21Nov201915139bugfix: remove typosmastermastersimplify smart submit/runadd template for geometry optimizationrework Job class, introduce queue objectAdd simple ALMO templatesMerge branch 'master' of gitlab.unige.ch:Alexander.Zech/CCJobExtend custom options to use flagsMerge branch 'porcodio' into 'master'Add more general freeze and thaw functionfixed indentation erroradded alternative way to parse number of basis functionsfixed another keyerror of Parserfixed keyerror of Parserfixed filename errorfixed old syntax and made function independent of CCParserappend finishing notification to sapt0 output (again)append finishing notification to sapt0 outputfixed issue with wrong parameters for B import* removed rhoB_basis option from all emb. templateslittle correction to initial printremoved bug: jobname not updated through cyclesremoved typo in sapt templatereduced print of 'find_elconfig'added new SAPT0 templateremoved typoremoved bug where read_eleconfig would result in an errorLittle changesadded new Template* added FDET scripts* equipped CCJob functions with silent optionsadded X_C templates for ADCadded FDE-HF template with separate XCadded gitignore* improved Input constructor* added new templates for prepol calcsadded another ADC templateinitial commit
Loading