Commits

Commits on Apr 6, 2019

Merged in externalForce (pull request #284)

krisghos
authored and
dsambit
committedApr 6, 2019

Commits on Feb 18, 2019

Merged in constrainedMagnetization (pull request #274)

krisghos
authored and
dsambit
committedFeb 18, 2019
bug fix: A bug was present in the case one tries to use constrained magnetization with symmetrization and multiple pools . This is fixed now, ctests passed.
krisghos
committedFeb 18, 2019

Commits on Jan 14, 2019

Merged in writeBands (pull request #188)

krisghos
authored and
dsambit
committedJan 14, 2019
k point file description updated
krisghos
committedJan 14, 2019
k point file description updated on dftParameters.cc
krisghos
committedJan 14, 2019
Merge branch 'publicGithubDevelop' of https://bitbucket.org/dftfeDevelopers/dftfe into writeBands
krisghos
committedJan 14, 2019

Commits on Jan 4, 2019

Commits on Jan 3, 2019

Commits on Oct 21, 2018

added constraint magnetization ctest
krisghos
committedOct 21, 2018
Merge branch 'constraintMagnetizationForce' of https://bitbucket.org/dftfedevelopers/dftfe into broyden
krisghos
committedOct 21, 2018

Commits on Oct 4, 2018

Merged in broyden (pull request #253)

krisghos
authored and
dsambit
committedOct 4, 2018
if condition removed from assert condition
krisghos
committedOct 4, 2018
assert condition modified
krisghos
committedOct 4, 2018
added an assert condition for constraint magnetization and a warning message
krisghos
committedOct 4, 2018

Commits on Sep 17, 2018

Merged in broyden (pull request #244)

krisghos
authored and
dsambit
committedSep 17, 2018
Merge branch 'publicGithubDevelop' of https://bitbucket.org/dftfedevelopers/dftfe into broyden
krisghos
committedSep 17, 2018
one more ctest input parameter changed.
krisghos
committedSep 17, 2018

Commits on Sep 16, 2018

Merged in broyden (pull request #243)

krisghos
authored and
phanimotamarri
committedSep 16, 2018
Merge branch 'publicGithubDevelop' of https://bitbucket.org/dftfedevelopers/dftfe into broyden
krisghos
committedSep 16, 2018
one ctest input changed
krisghos
committedSep 16, 2018
Merged in broyden (pull request #226)

krisghos
authored and
dsambit
committedSep 16, 2018
few more ctest file input changed. ctests passed
krisghos
committedSep 16, 2018
input parameter file changes on recent ctests
krisghos
committedSep 16, 2018
ctests passed
krisghos
committedSep 16, 2018
changes in clearRhoData() to clean up Broyden datastructure after each groundstate. More ctests added for ionic and cell relaxations while using Broyden mixing in SCF.
krisghos
committedSep 16, 2018
Merge branch 'publicGithubDevelop' of https://bitbucket.org/dftfedevelopers/dftfe into broyden
krisghos
committedSep 16, 2018

Commits on Aug 31, 2018

Commits on Aug 25, 2018

Commits on Aug 22, 2018

Broyden mixing added. ctests passed
krisghos
committedAug 22, 2018

Commits on Aug 21, 2018

putting in Broyden mixing
krisghos
committedAug 21, 2018