?  search:
summary | log | graphiclog1 | graphiclog2 | commit | commitdiff | tree | refs | edit | fork
first · prev · next
Remove PImpl scaffolding from CUDA version of Leap-Frog
2019-08-06 Artem ZhmurovRemove PImpl scaffolding from CUDA version of Leap...
commit | commitdiff | tree
2019-08-06 Berk HessAdd ForceWithShiftForces class
 commit | commitdiff | tree
2019-08-06 Berk HessFix latex formula in reference manual
 commit | commitdiff | tree
2019-08-06 M. Eric IrrgangResolve a compiler warning for the gmxapi Python package.
 commit | commitdiff | tree
2019-08-05 Mark AbrahamAdd quote
 commit | commitdiff | tree
2019-08-05 Berk HessMake box const in do_force()
 commit | commitdiff | tree
2019-08-05 Paul BauerAdd replacements for pbc enumerations
 commit | commitdiff | tree
2019-08-05 Paul BauerAdd free function to convert matrix type
 commit | commitdiff | tree
2019-07-25 Kevin BoydAdd transpose operation to Matrix3x3
 commit | commitdiff | tree
2019-07-24 Christian BlauFix HTML source documenation error caused by GaussTransform3D
 commit | commitdiff | tree
2019-07-24 M. Eric IrrgangBegin new sample_restraint development.
 commit | commitdiff | tree
2019-07-18 M. Eric IrrgangImprove some documentation formatting and spelling.
 commit | commitdiff | tree
2019-07-18 M. Eric IrrgangRemove extraneous file.
 commit | commitdiff | tree
2019-07-18 Paul BauerExtend MDLogger levels
 commit | commitdiff | tree
2019-07-17 Paul BauerMove methods out from trjconv
 commit | commitdiff | tree
2019-07-03 Mark AbrahamReorder options
 commit | commitdiff | tree
2019-06-28 Christian BlauAdd class to look up density fitting amplitudes
 commit | commitdiff | tree
2019-06-20 Christian BlauAdd coordinate scaling class and extend TranslateAndScale
 commit | commitdiff | tree
2019-06-20 Christian BlauAllow non-uniform Gaussians
 commit | commitdiff | tree
2019-06-18 Paul BauerExtend ISerializer functionality
 commit | commitdiff | tree
2019-05-08 Mark AbrahamProvide hook for forks of GROMACS to describe themselves
 commit | commitdiff | tree
2019-04-22 Christian BlauThree dimensional gauss transform
 commit | commitdiff | tree
2019-04-22 Christian BlauOne dimensional Gaussian function on lattice.
 commit | commitdiff | tree
2019-03-25 Mark AbrahamSupport ArrayRef of EnumerationArray
 commit | commitdiff | tree
2019-03-25 M. Eric IrrgangRemove uses of std::iterator mix-in.
 commit | commitdiff | tree
2019-03-22 Paul BauerAdd simple tests for symbol table
 commit | commitdiff | tree
2019-03-20 Paul BauerAdd simple test to preprocess bond atom type
 commit | commitdiff | tree
2019-03-20 Paul BauerAdd test for string comparison
 commit | commitdiff | tree
2019-03-19 Mark AbrahamAdd support for serializing 32-bit integers
 commit | commitdiff | tree
2019-03-19 Christian Blaudensityfitting - density file format (mrc) header.
 commit | commitdiff | tree
2019-03-19 Paul BauerFix case insensitive string comparison
 commit | commitdiff | tree
2019-03-19 Mark AbrahamFix clang warning
 commit | commitdiff | tree
2019-03-19 Mark AbrahamUpdate ElectricField module
 commit | commitdiff | tree
2019-03-13 Paul BauerAdd tests for preprocess atom types
 commit | commitdiff | tree
2019-03-13 Paul BauerRefactor t_param to InteractionType
 commit | commitdiff | tree
2019-03-08 Paul BauerRefactor preprocessing atom types.
 commit | commitdiff | tree
2019-03-07 Mark AbrahamNew tests for pdb2gmx and editconf
 commit | commitdiff | tree
2019-03-06 Paul BauerAdd error when manual cannot be built
 commit | commitdiff | tree
2019-02-27 Mark AbrahamKeep niche CMake variables as advanced
 commit | commitdiff | tree
2019-02-25 Mark AbrahamMove code out of sim_util.cpp
 commit | commitdiff | tree
2019-02-15 Paul BauerFix memory leaks in editconf
 commit | commitdiff | tree
2019-02-14 Mark AbrahamFix use of selections referring to index groups
 commit | commitdiff | tree
2019-02-14 Mark AbrahamRevert changes to implementation of insert-molecules...
commit | commitdiff | tree
2019-02-13 Paul BauerRefactor rtp renaming
 commit | commitdiff | tree
2019-02-13 Mark AbrahamMake EnergyOutput wrapper class
 commit | commitdiff | tree
2019-02-08 Mark AbrahamRemove copy_energy from energy-writing steps
 commit | commitdiff | tree
2019-02-07 Roland SchulzAdd ssize and remove static_casts
 commit | commitdiff | tree
2019-01-25 Mark AbrahamUnify regex implementation
 commit | commitdiff | tree
2019-01-24 Christian BlauRemove extra semicolons causing clang warnings.
 commit | commitdiff | tree
2019-01-18 Kevin BoydAdd tests for gmx mindist
 commit | commitdiff | tree
2018-12-20 David van der SpoelRemoved t_topology from gmx msd
 commit | commitdiff | tree
2018-12-12 Szilárd PállImprove DLB report/note
 commit | commitdiff | tree
2018-12-10 Paul BauerUse more const references in topology code
 commit | commitdiff | tree
2018-12-06 boristimUpdates to do_dssp
 commit | commitdiff | tree
2018-10-03 Mark AbrahamBasic modernization of md5 handling
 commit | commitdiff | tree
2018-08-30 Christian BlauConvert essential dynamics C-structs to C++ pt1.
 commit | commitdiff | tree
2018-08-20 Berk HessMake gmx_ga2la_t a proper class
 commit | commitdiff | tree
2018-08-17 Berk HessMake pull pbc atom use LocalAtomSet
 commit | commitdiff | tree
2018-08-14 Roland SchulzRemove BasicVector.as_vec
 commit | commitdiff | tree
2018-08-10 Kevin BoydAdded physical validation document to the dev manual.
 commit | commitdiff | tree
2018-08-09 Christian BlauRemove Debug Helpers from Essential Dynamics code.
 commit | commitdiff | tree
2018-08-08 Christian BlauEssential dynamics functions use const-ref for input...
commit | commitdiff | tree
2018-08-08 Christian BlauSplit essential dynamics eigenvector reading.
 commit | commitdiff | tree
2018-08-08 Christian BlauMake essential dynamics a C++ type.
 commit | commitdiff | tree
The ultimate molecular dynamics simulation package