Commits

Commits on Aug 14, 2017

added wavefunction output to vtu file functionality
rudraa
committedAug 14, 2017

Commits on Aug 13, 2017

changed output message formatting and minor changes to dftrun
rudraa
committedAug 13, 2017

Commits on Aug 12, 2017

minor updates to LICENSE README.txt README_DETAILED.txt
rudraa
committedAug 12, 2017
added NOTICE for PRISMS workshop and updated doxygen
rudraa
committedAug 12, 2017

Commits on Jul 24, 2017

removed utils, modified DOxygen
rudraa
committedJul 24, 2017
changes to gitignore
rudraa
committedJul 24, 2017
modified dftRun and README for parallel job submissions
rudraa
committedJul 24, 2017
added dftrun script and modified CMakeLists, setup.sh
rudraa
committedJul 24, 2017

Commits on Jul 23, 2017

modified the build script and setup.sh. Changed compiler warning flags.
rudraa
committedJul 23, 2017

Commits on Jul 14, 2017

generated Doxygen html files and added .gitignore file back
rudraa
committedJul 14, 2017

Commits on Jul 13, 2017

Doxyfile created online with Bitbucket
rudraa
committedJul 13, 2017

Commits on Nov 19, 2016

merged periodicBC into periodicBin.
rudraa
committedNov 19, 2016
fixed merge conflicts
rudraa
committedNov 19, 2016
Hex8 matches, but Hex125 only close.
rudraa
committedNov 19, 2016

Commits on Nov 18, 2016

fixed constraints for periodic BCs
rudraa
committedNov 18, 2016
poisson now works with periodic.... working on cleaning up
rudraa
committedNov 18, 2016

Commits on Nov 17, 2016

periodicity changes - 2
rudraa
committedNov 17, 2016
periodicity changes - 1
rudraa
committedNov 17, 2016

Commits on Jul 5, 2016

created pseudoPotential folder
rudraa
committedJul 5, 2016

Commits on Mar 11, 2016

fixed issue with all_reduce in mixing scheme
rudraa
committedMar 11, 2016
working on testing upper bound and mixing scheme
rudraa
committedMar 11, 2016

Commits on Mar 9, 2016

slepc BV orthogonologize implementation complete..2
rudraa
committedMar 9, 2016
slepc BV orthogonologize implementation complete
rudraa
committedMar 9, 2016
working on scalling slepc orthonormalization
rudraa
committedMar 9, 2016

Commits on Feb 11, 2016

implemented CGS with reorthonormalization
rudraa
committedFeb 11, 2016

Commits on Jan 30, 2016

working commit....fixed density files reading
rudraa
committedJan 30, 2016

Commits on Jan 29, 2016

working commit...working on automation of reading input files
rudraa
committedJan 29, 2016

Commits on Dec 24, 2015

Commits on Dec 23, 2015

major commit: made poisson AX matrix free without stored jacobian and also add jacobi precondtioner... poisson now rocks
rudraa
committedDec 23, 2015
working on speeding up poisson problem
rudraa
committedDec 23, 2015

Commits on Dec 20, 2015

added carbon_DbugReport from phani
rudraa
committedDec 20, 2015

Commits on Dec 19, 2015

working commit.... HX is clear
rudraa
committedDec 19, 2015
working commit
rudraa
committedDec 19, 2015
working commit
rudraa
committedDec 19, 2015