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[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
qm_gaussian.cpp
2019-11-07
Paul Bauer
Apply clang-format to source tree
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2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
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2019-09-25
Szilárd Páll
Merge remote-tracking branch 'origin/release-2019'
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2019-09-24
Paul Bauer
Merge branch release-2019 into master
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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-01
Paul Bauer
Merge release-2019 into master
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2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
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2019-04-17
Berk Hess
Remove group scheme search code
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2019-01-30
Mark Abraham
Merge remote branch release-2018 into release-2019
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2019-01-23
Roland Schulz
Merge release-2018 into release-2019
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2018-12-31
Paul Bauer
Merge branch release-2018 into release-2019
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2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
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2018-11-21
Paul Bauer
Merge branch release-2018 into release-2019
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2018-11-20
Mark Abraham
Merge "Merge release-2019 into master"
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2018-11-16
Roland Schulz
Merge release-2019 into master
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2018-11-14
Mark Abraham
More warning suppressions for QMMM code
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2018-11-05
Paul Bauer
Make QM/MM code always compile
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2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
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2018-10-24
Paul Bauer
Update QM gaussian interface
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2018-08-29
Mark Abraham
Merge branch release-2018
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2018-08-24
Mark Abraham
Merge branch release-2018
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2018-07-11
Roland Schulz
Clang warnings
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2018-03-20
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-16
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-14
Mark Abraham
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2018-02-08
Mark Abraham
Merge branch release-2016 into release-2018
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2018-01-09
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-22
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-21
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-12-20
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-12
Mark Abraham
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2017-12-04
Mark Abraham
Merge branch release-2016 into release-2018
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2017-11-03
Mark Abraham
Merge "Merge branch release-2016"
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2017-11-02
Aleksei Iupinov
Replace math.h by cmath includes in cpp files
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2017-11-02
Mark Abraham
Merge branch release-2016
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2017-10-20
Mark Abraham
Merge branch release-2016
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2017-10-16
Mark Abraham
Merge branch release-2016
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2017-09-28
tomaskubar
QM/MM: remove optimization and trans. state search
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2017-09-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-08-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-02-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-02-05
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-01-31
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-01-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-10-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-09-08
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-09-02
Berk Hess
Merge branch release-5-1 into release-2016
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2016-08-24
Berk Hess
Merge branch release-5-1 into release-2016
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2016-07-29
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-07-08
Mark Abraham
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2016-06-30
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-06-27
Mark Abraham
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2016-06-22
Mark Abraham
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2016-06-17
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-06-08
Mark Abraham
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2016-05-12
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-05-05
Teemu Murtola
Merge branch release-5-1
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2016-04-28
Roland Schulz
Merge "Merge branch release-5-1"
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2016-04-27
Mark Abraham
Merge branch release-5-1
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2016-04-14
Mark Abraham
Merge branch release-5-1
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2016-02-19
Mark Abraham
Merge branch release-5-1
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2016-02-06
Mark Abraham
Merge branch release-5-1
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2016-01-28
Mark Abraham
Merge branch release-5-1
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2016-01-27
Mark Abraham
Merge branch release-5-1
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2016-01-25
Mark Abraham
Merge branch release-5-1
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2016-01-20
Szilárd Páll
Merge remote-tracking branch 'origin/release-5-1' into...
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2016-01-08
Mark Abraham
Merge branch release-5-1
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2016-01-04
Mark Abraham
Change GMX_DOUBLE to be always defined
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2015-12-28
Mark Abraham
Merge branch release-5-1
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2015-12-20
Berk Hess
Merge release-5-1 into master
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2015-12-10
Mark Abraham
Merge branch 'origin/release-5-1'
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2015-12-09
Teemu Murtola
Split txtdump.*, part 1
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2015-11-20
David van der Spoel
Combine enums.h and names*.
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2015-11-20
David van der Spoel
Merged legacyheaders/nrnb.h and types/nrnb.h to gmxlib.
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2015-11-16
Mark Abraham
Merge branch release-5-1
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2015-11-14
Teemu Murtola
Move network.h to gmxlib/
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2015-11-12
David van der Spoel
Moved txtdump.* to fileio.
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2015-11-10
David van der Spoel
Removed legacyheaders/typedefs.h
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2015-11-06
Teemu Murtola
Move ns.h and nsgrid.h to mdlib/
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2015-11-06
Teemu Murtola
Move force.h and vsite.h into mdlib/
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2015-11-04
Mark Abraham
Merge branch release-5-1
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2015-11-03
Mark Abraham
Merge branch release-5-1
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2015-10-07
Mark Abraham
Merge branch release-5-1 into master
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2015-10-03
Teemu Murtola
Merge branch release-5-1 into master
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2015-09-27
Teemu Murtola
More headers out of legacyheaders
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2015-09-18
Teemu Murtola
Move asize() from macros.h and reduce use of macros.h
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2015-09-15
Mark Abraham
Merge branch release-5-1
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2015-08-14
Mark Abraham
Merge branch release-5-1 into master
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2015-07-26
Erik Lindahl
Merge branch release-5-1
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2015-07-24
Mark Abraham
Merge branch release-5-1
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2015-07-10
Erik Lindahl
Use cmakedefine01 for more trivial defines
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2015-07-08
Roland Schulz
Merge release-5-1 into master
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2015-07-07
Erik Lindahl
Move QMMM source to C++
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