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DENOPTIM
denoptim.integration.tinker.TinkerUtils Member List

This is the complete list of members for denoptim.integration.tinker.TinkerUtils, including all inherited members.

debugdenoptim.integration.tinker.TinkerUtilsprivatestatic
ensureOutputExistsOrRelayError(String outputPathName, String logPathName, String taskName)denoptim.integration.tinker.TinkerUtilsstatic
getNameLastCycleFile(String workDir, String fname, String tinkerLog, String pattern)denoptim.integration.tinker.TinkerUtilsstatic
NLdenoptim.integration.tinker.TinkerUtilsprivatestatic
readPSSROTOutput(String filename)denoptim.integration.tinker.TinkerUtilsstatic
readPSSROTParams(String filename, List< String > initPars, List< String > restPars)denoptim.integration.tinker.TinkerUtilsstatic
readTinkerAtomTypes(String filename)denoptim.integration.tinker.TinkerUtilsstatic
readTinkerINT(String filename)denoptim.integration.tinker.TinkerUtilsstatic
readTinkerXYZ(String filename)denoptim.integration.tinker.TinkerUtilsstatic
writeTinkerINT(String filename, ZMatrix zmat)denoptim.integration.tinker.TinkerUtilsstatic