abelcarreras / PyQchem
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abelcarreras 
Add parsing NTO's RASCI with new format

748 of 2827 relevant lines covered (26.46%)

0.53 hits per line

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2827 RELEVANT LINES 748 COVERED LINES
0.53 HITS PER LINE
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Builds Branch Commit Type Ran Committer Via Coverage
216 development Add parsing NTO's RASCI with new format push abelcarreras travis-ci-com pending completion  
215 development Merge remote-tracking branch 'origin/development' into development push abelcarreras travis-ci-com pending completion  
213 development Updated version number to prepare for merge into master push abelcarreras travis-ci-com pending completion  
212 development Updated tests due to parser update push abelcarreras travis-ci-com pending completion  
210 development Added 1e_socc to rasci_parser added RASCI-SOC example push abelcarreras travis-ci-com pending completion  
209 development Update parser_cis to parse SOC with latest version of Q-Chem push abelcarreras travis-ci-com pending completion  
208 development Fix build_fchk() function according to the changes in fchk format push abelcarreras travis-ci-com pending completion  
207 development Updated fchk parser to include Spin density and total SCF density Added scf_density keyword to QCInput class minor cleaning push abelcarreras travis-ci-com pending completion  
206 development clean rasci diabatization example push abelcarreras travis-ci-com pending completion  
205 development Update rasci parser to handle ignore_symmetry keyword push abelcarreras travis-ci-com pending completion  
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