1. petermr
  2. jumbo-converters

Commits

Author Commit Message Date Builds
petermr
added remaining files
petermr
touched
petermr
resolved minor variants in qespresso
petermr
resolved minor variants in qespresso
petermr
tweaked qespresso to run
peter
mockito failed in test-utils; no idea why probably pom/probably pom or class loader;ommented out but needs fixing
cjh1
Updates to qchem
petermr
added logfile regression
petermr
created skeleton for qchem and one example template
petermr
reconfirming build
petermr
finished creating modules but bugs probably lurking
petermr
refactored to compilable code
petermr
interim commit of partly refactored non-compiling system
petermr
added CLI examples
petermr
added TypePair and refactor ConverterRegistry
petermr
finished refactoring types
petermr
refactoring Type
petermr
adding package-info
petermr
removed legacyProcessor
petermr
more directory refactoring and removal of unnecessary code
petermr
continuing tidy
petermr
cloned wwmm for refactoring
petermr
cleaned output
Sam Adams
Fix to JDX2CMLParser
petermr
new JCamp
petermr
new JCAMP output
Sam Adams
Fixed module versioning and nwchem run.date extraction
petermr
added spectra examples
petermr
unignored examples renamed to materials - 1
petermr
unignored examples renamed to materials
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