Index

B

buildArch() (epsman.epsProcessor.epsProcessor method) buildePSjob() (epsman.elecStructure.ESjob.ESjob method)

buildPkg() (in module epsman.repo.pkgFiles) buildSite() (epsman.epsProcessor.epsProcessor method) buildUploads() (epsman.epsProcessor.epsProcessor method)

C

checkArch() (in module epsman.repo.pkgFiles) checkArchFiles() (epsman.epsProcessor.epsProcessor method) checkFiles() (epsman.epsJob.epsJob method) checkLocalESfiles() (epsman.elecStructure.ESjob.ESjob method) checkLocalFiles() (epsman.epsJob.epsJob method) checkRepoFiles() (epsman.epsProcessor.epsProcessor method)

constructFooter() (in module epsman.repo.nbHeaderPost) constructHeader() (in module epsman.repo.nbHeaderPost) convert_bytes() (in module epsman.repo.pkgFiles) (in module epsman.repo.remoteUpload) convertSymsGamessePS() (in module epsman.sym.convertSyms) cpESFiles() (epsman.epsProcessor.epsProcessor method) createJobDirTree() (epsman.epsJob.epsJob method)

D

delRepoItem() (epsman.epsProcessor.epsProcessor method)

E

epsJob (class in epsman.epsJob) epsman module epsman.elecStructure module epsman.elecStructure.ESclass module epsman.elecStructure.ESclass_bk100621 module epsman.elecStructure.ESjob module epsman.elecStructure.util module epsman.epsJob module epsman.epsProcessor module epsman.repo module epsman.repo.jobJSON module

epsman.repo.nbHeaderPost module epsman.repo.pkgFiles module epsman.repo.remoteUpload module epsman.repo.zenodo_test module epsman.sym module epsman.sym.convertSyms module epsman.sym.defineSyms module epsman.web module epsman.web.buildSphinxHTML module epsProcessor (class in epsman.epsProcessor) EShandler (class in epsman.elecStructure.ESclass) (class in epsman.elecStructure.ESclass_bk100621) ESjob (class in epsman.elecStructure.ESjob)

F

fileListCheck() (epsman.epsProcessor.epsProcessor method)

fileParse() (in module epsman.elecStructure.ESclass_bk100621)

G

genSphinxIndex() (in module epsman.web.buildSphinxHTML) genSymList() (epsman.elecStructure.ESclass.EShandler method) getArchLogs() (epsman.epsProcessor.epsProcessor method) getePSsymmetries() (in module epsman.sym.defineSyms) getFileList() (epsman.epsJob.epsJob method)

getFilesPkg() (in module epsman.repo.pkgFiles) getGamessSymmetries() (in module epsman.sym.defineSyms) getInfo() (in module epsman.repo.nbHeaderPost) getNotebookJobList() (epsman.epsProcessor.epsProcessor method) getNotebookList() (epsman.epsProcessor.epsProcessor method) getNotebooks() (epsman.epsProcessor.epsProcessor method)

I

initConnection() (epsman.epsJob.epsJob method)

initRepo() (epsman.epsProcessor.epsProcessor method)

M

module epsman epsman.elecStructure epsman.elecStructure.ESclass epsman.elecStructure.ESclass_bk100621 epsman.elecStructure.ESjob epsman.elecStructure.util epsman.epsJob epsman.epsProcessor epsman.repo epsman.repo.jobJSON epsman.repo.nbHeaderPost epsman.repo.pkgFiles epsman.repo.remoteUpload epsman.repo.zenodo_test epsman.sym epsman.sym.convertSyms epsman.sym.defineSyms epsman.web epsman.web.buildSphinxHTML

moldenCCLIBReformatted (class in epsman.elecStructure.ESclass) (class in epsman.elecStructure.ESclass_bk100621) multiEChunck() (epsman.epsJob.epsJob method)

N

nbDetailsSummary() (epsman.epsProcessor.epsProcessor method)

nbWriteHeader() (epsman.epsProcessor.epsProcessor method)

O

orbInfoSummary() (epsman.elecStructure.ESclass.EShandler method)

P

pkgOverride() (epsman.epsProcessor.epsProcessor method) publishRepoItem() (epsman.epsProcessor.epsProcessor method) publishUploads() (epsman.epsProcessor.epsProcessor method)

pullFile() (epsman.epsJob.epsJob method) pullFileDict() (epsman.epsJob.epsJob method) pushFile() (epsman.epsJob.epsJob method) pushFileDict() (epsman.epsJob.epsJob method)

R

readGamessLog() (epsman.elecStructure.ESclass.EShandler method) (epsman.elecStructure.ESclass_bk100621.EShandler method) readMoldenGeoms() (in module epsman.elecStructure.util) readNBdetailsJSON() (epsman.epsProcessor.epsProcessor method) (in module epsman.repo.jobJSON) (in module epsman.repo.remoteUpload)

reformatMoldenFile() (epsman.elecStructure.ESclass.EShandler method) (epsman.elecStructure.ESclass_bk100621.EShandler method) runJobs() (epsman.epsJob.epsJob method) runNotebooks() (epsman.epsProcessor.epsProcessor method)

S

searchRepo() (epsman.epsProcessor.epsProcessor method) setAttribute() (epsman.epsJob.epsJob method) setAttributesFromDict() (epsman.epsJob.epsJob method) setChannel() (epsman.elecStructure.ESclass.EShandler method) setePSglobals() (epsman.elecStructure.ESclass.EShandler method) setePSinputs() (epsman.elecStructure.ESclass.EShandler method) setePSPGlabel() (in module epsman.sym.convertSyms) setESfiles() (epsman.elecStructure.ESjob.ESjob method) setESFiles() (epsman.epsProcessor.epsProcessor method) setFiles() (epsman.elecStructure.ESclass.EShandler method) (epsman.elecStructure.ESclass_bk100621.EShandler method) setGenFile() (epsman.epsJob.epsJob method) setHost() (epsman.epsJob.epsJob method) setHostDefns() (epsman.epsJob.epsJob method) setInitialState() (epsman.elecStructure.ESclass.EShandler method) setJob() (epsman.epsJob.epsJob method)

setJobInputConfig() (epsman.elecStructure.ESjob.ESjob method) setJobPaths() (epsman.epsJob.epsJob method) setJobRoot() (in module epsman.repo.pkgFiles) setMasterESfile() (epsman.elecStructure.ESjob.ESjob method) setMoldenFile() (epsman.elecStructure.ESclass.EShandler method) (epsman.elecStructure.ESclass_bk100621.EShandler method) setNotebookTemplate() (epsman.epsProcessor.epsProcessor method) setOrbInfoPD() (epsman.elecStructure.ESclass.EShandler method) setPaths() (epsman.epsJob.epsJob method) setPG() (epsman.elecStructure.ESclass.EShandler method) setScripts() (epsman.epsJob.epsJob method) setSymsFromFiles() (epsman.elecStructure.ESjob.ESjob method) setWrkDir() (epsman.epsJob.epsJob method) splitArchFiles() (in module epsman.repo.remoteUpload) submitUploads() (epsman.epsProcessor.epsProcessor method) symTest() (epsman.elecStructure.ESjob.ESjob method) syncFilesDict() (epsman.epsJob.epsJob method)

T

tidyJobs() (epsman.epsJob.epsJob method)

tidyNotebooks() (epsman.epsProcessor.epsProcessor method)

U

updateArch() (epsman.epsProcessor.epsProcessor method) updateUploads() (epsman.epsProcessor.epsProcessor method)

updateWebNotebookFiles() (epsman.epsProcessor.epsProcessor method) uploadRepoFiles() (epsman.epsProcessor.epsProcessor method) (in module epsman.repo.remoteUpload)

W

writeFooter() (in module epsman.repo.nbHeaderPost) writeGenFile() (epsman.epsJob.epsJob method) writeHeader() (in module epsman.repo.nbHeaderPost) writeInp() (epsman.epsJob.epsJob method) writeInputConf() (epsman.elecStructure.ESclass.EShandler method) writeJobJSON() (epsman.epsProcessor.epsProcessor method) writeMoldenFile() (epsman.elecStructure.ESclass.EShandler method) (epsman.elecStructure.ESclass_bk100621.EShandler method)

writeMoldenFile2006() (epsman.elecStructure.ESclass.EShandler method) (epsman.elecStructure.ESclass_bk100621.EShandler method) writeNBdetailsJSON() (epsman.epsProcessor.epsProcessor method) (in module epsman.repo.jobJSON) (in module epsman.repo.remoteUpload) writeReadme() (in module epsman.repo.nbHeaderPost)