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densityfitting - density file format (mrc) header.
2019-03-19 Christian Blaudensityfitting - density file format (mrc) header.
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2019-03-19 Paul BauerFix case insensitive string comparison
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2019-03-19 Mark AbrahamFix clang warning
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2019-03-19 Mark AbrahamUpdate ElectricField module
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2019-03-13 Paul BauerAdd tests for preprocess atom types
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2019-03-13 Paul BauerRefactor t_param to InteractionType
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2019-03-08 Paul BauerRefactor preprocessing atom types.
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2019-03-07 Mark AbrahamNew tests for pdb2gmx and editconf
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2019-02-27 Mark AbrahamKeep niche CMake variables as advanced
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2019-02-25 Mark AbrahamMove code out of sim_util.cpp
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2019-02-15 Paul BauerFix memory leaks in editconf
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2019-02-14 Mark AbrahamFix use of selections referring to index groups
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2019-02-14 Mark AbrahamRevert changes to implementation of insert-molecules...
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2019-02-13 Paul BauerRefactor rtp renaming
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2019-02-13 Mark AbrahamMake EnergyOutput wrapper class
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2019-02-08 Mark AbrahamRemove copy_energy from energy-writing steps
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2019-02-07 Roland SchulzAdd ssize and remove static_casts
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2019-01-25 Mark AbrahamUnify regex implementation
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2019-01-24 Christian BlauRemove extra semicolons causing clang warnings.
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2019-01-18 Kevin BoydAdd tests for gmx mindist
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2018-12-20 David van der SpoelRemoved t_topology from gmx msd
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2018-12-12 Szilárd PállImprove DLB report/note
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2018-12-10 Paul BauerUse more const references in topology code
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2018-12-06 boristimUpdates to do_dssp
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2018-10-03 Mark AbrahamBasic modernization of md5 handling
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2018-08-30 Christian BlauConvert essential dynamics C-structs to C++ pt1.
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2018-08-20 Berk HessMake gmx_ga2la_t a proper class
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2018-08-17 Berk HessMake pull pbc atom use LocalAtomSet
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2018-08-14 Roland SchulzRemove BasicVector.as_vec
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2018-08-10 Kevin BoydAdded physical validation document to the dev manual.
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2018-08-09 Christian BlauRemove Debug Helpers from Essential Dynamics code.
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2018-08-08 Christian BlauEssential dynamics functions use const-ref for input...
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2018-08-08 Christian BlauSplit essential dynamics eigenvector reading.
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2018-08-08 Christian BlauMake essential dynamics a C++ type.
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The ultimate molecular dynamics simulation package