- 06 Mar, 2018 3 commits
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Daniel Wortmann authored
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Daniel Wortmann authored
The convolution with the step function has been removed from vmatgen as this is done in vgen already.
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Daniel Wortmann authored
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- 05 Mar, 2018 1 commit
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Gregor Michalicek authored
I had to compensate the newly present diagonal term in the td%tuu,... arrays in force/force_a21.F90.
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- 02 Mar, 2018 7 commits
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Daniel Wortmann authored
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Daniel Wortmann authored
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Gregor Michalicek authored
...to fill aveccof and bveccof arrays.
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Daniel Wortmann authored
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Daniel Wortmann authored
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Gregor Michalicek authored
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Uliana Alekseeva authored
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- 01 Mar, 2018 6 commits
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Gregor Michalicek authored
The tolerance was increased from 10^-7 Htr to 10^-6 Htr.
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
For this cdn_mt/abcof.F90 and cdn_mt/abclocdn.F90 had to be adapted to feature the needed functionality. toPulay is still available in the code but never called.
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Gregor Michalicek authored
...to allow compilation on older Intel compilers.
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- 28 Feb, 2018 2 commits
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Daniel Wortmann authored
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Daniel Wortmann authored
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- 27 Feb, 2018 1 commit
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Daniel Wortmann authored
Cleanup and bugfixes are required.
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- 26 Feb, 2018 1 commit
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Daniel Wortmann authored
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- 20 Feb, 2018 2 commits
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Daniel Wortmann authored
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Daniel Wortmann authored
a) Second spin for force a8 was wrong b) LO contribution to force_a21 was wrong
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- 15 Feb, 2018 2 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 14 Feb, 2018 2 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
The OMP parallelization yielded wrong results for the vtl array with the ifort 18 compiler.
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- 13 Feb, 2018 1 commit
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Gregor Michalicek authored
...it was an error before.
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- 08 Feb, 2018 2 commits
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Uliana Alekseeva authored
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Uliana Alekseeva authored
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- 06 Feb, 2018 2 commits
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Gregor Michalicek authored
This is done by replacing the parallelizationParameters XML element by a more sophisticated parallelSetup section in out.xml
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Gregor Michalicek authored
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- 26 Jan, 2018 1 commit
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Gregor Michalicek authored
Replace broyden2 by broyden agein until the problem with continuous restart are understood and solved
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- 19 Jan, 2018 1 commit
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Daniel Wortmann authored
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- 18 Jan, 2018 3 commits
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Gregor Michalicek authored
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Daniel Wortmann authored
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Daniel Wortmann authored
Added diagonalization switch that does not do any diagonalization but simple outputs the matrix for debugging...
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- 17 Jan, 2018 1 commit
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Gregor Michalicek authored
The continuous restartability still does not seem to work correctly.
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- 16 Jan, 2018 2 commits
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Gregor Michalicek authored
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Jens Bröder authored
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