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Adding energy output field for density fitting
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
tests
/
energyoutput.cpp
2019-09-06
Christian Blau
Adding energy output field for density fitting
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2019-08-23
Mark Abraham
Update clang-tidy to clang version 8
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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-12
Pascal Merz
Use new setenv function for energyoutput test
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2019-08-01
Paul Bauer
Merge release-2019 into master
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2019-05-24
Artem Zhmurov
Clarify the EnergyOutput III
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2019-05-24
Artem Zhmurov
Clarify the EnergyOutput II
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2019-05-03
Paul Bauer
Replace t_grps with std::vector
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2019-05-03
Berk Hess
Convert manage_threading_t and gmx_enerdata_t to C++
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2019-05-02
Artem Zhmurov
Use test with parameters for EnergyOutput
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2019-04-25
Artem Zhmurov
Improvements for energy output test.
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2019-04-18
Mark Abraham
Move pull work struct out of inputrec
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2019-03-02
Mark Abraham
Merge branch release-2019
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2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
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2019-02-13
Mark Abraham
Make EnergyOutput wrapper class
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