2012-11-27 |
Michael Shirts | Removes memory allocation from free energy foreign... |
tree | commitdiff |
2012-11-27 |
Roland Schulz | Add visibility defines |
tree | commitdiff |
2012-11-27 |
Erik Lindahl | Merge "Added affinity support check, visibility macros... |
tree | commitdiff |
2012-11-27 |
Sander Pronk | Added affinity support check, visibility macros in... |
tree | commitdiff |
2012-11-26 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
tree | commitdiff |
2012-11-26 |
Roland Schulz | Merge "Clean up some mathematical constants" into relea... |
tree | commitdiff |
2012-11-26 |
Mark Abraham | Clean up some mathematical constants |
tree | commitdiff |
2012-11-26 |
Erik Lindahl | Merge "Extended build information output and reference... |
tree | commitdiff |
2012-11-26 |
Berk Hess | added nbnxn analytical Ewald correction kernels |
tree | commitdiff |
2012-11-25 |
Teemu Murtola | Extended build information output and reference build... |
tree | commitdiff |
2012-11-23 |
Roland Schulz | Merge "removed group non-boneded call with verlet schem... |
tree | commitdiff |
2012-11-23 |
Roland Schulz | Merge "improve FindGROMACS.cmake" into release-4-6 |
tree | commitdiff |
2012-11-23 |
Roland Schulz | Force C++ linking of the gpu_utils |
tree | commitdiff |
2012-11-23 |
Szilárd Páll | Merge "Updates to CMake treatment of OpenMP" into relea... |
tree | commitdiff |
2012-11-20 |
Christoph Junghans | Merge "Fix g_msd -mol" into release-4-6 |
tree | commitdiff |
2012-11-20 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
tree | commitdiff |
2012-11-19 |
Roland Schulz | Merge changes Ibc555d88,Iaf6f3051 into release-4-6 |
tree | commitdiff |
2012-11-19 |
Mark Abraham | Merge "SSE4.1 single-precision kernels" into release-4-6 |
tree | commitdiff |
2012-11-19 |
Erik Lindahl | SSE4.1 single-precision kernels |
tree | commitdiff |
2012-11-19 |
Roland Schulz | Merge "Remove double declaration in headers" into relea... |
tree | commitdiff |
2012-11-17 |
Roland Schulz | Remove double declaration in headers |
tree | commitdiff |
2012-11-17 |
Roland Schulz | Merge "Removing Zn and Ar non-OPLS atom types" into... |
tree | commitdiff |
2012-11-16 |
David van der Spoel | Merge "Removes unused files" into release-4-6 |
tree | commitdiff |
2012-11-16 |
Erik Lindahl | SSE2 single-precision kernels |
tree | commitdiff |
2012-11-11 |
Roland Schulz | Fix FMA4 compile for GCC and MSVC |
tree | commitdiff |
2012-11-10 |
Roland Schulz | Merge "Fix broken manual formatting" into release-4-6 |
tree | commitdiff |
2012-11-10 |
Teemu Murtola | Remove obsolete GMX_THREAD_SHM_FDECOMP. |
tree | commitdiff |
2012-11-08 |
Roland Schulz | Merge "Fixed bug in the new switch-modified interaction... |
tree | commitdiff |
2012-11-08 |
Christoph Junghans | Merge "auto-set nvcc host compiler with FindMPI detecti... |
tree | commitdiff |
2012-11-08 |
Christoph Junghans | Merge "Relocated logic of simple-vs-GPU Ewald table... |
tree | commitdiff |
2012-11-08 |
Mark Abraham | Relocated logic of simple-vs-GPU Ewald table generation |
tree | commitdiff |
2012-11-08 |
Erik Lindahl | Infrastructure for new group kernels, and new C kernels |
tree | commitdiff |
2012-11-06 |
Berk Hess | Merge "Add option to install libcudart" into release-4-6 |
tree | commitdiff |
2012-11-06 |
Berk Hess | Merge "don't execute any mpi_info/mpiname in the path... |
tree | commitdiff |
2012-11-05 |
Berk Hess | Merge "updated several things related with OpenMP threa... |
tree | commitdiff |
2012-11-03 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
tree | commitdiff |
2012-10-31 |
Szilard Pall | fix internal/external OpenMP thread affinity clash |
tree | commitdiff |
2012-10-25 |
Roland Schulz | Merge "fix CUDA non-bonded kernel pointer assignment... |
tree | commitdiff |
2012-10-23 |
Roland Schulz | Merge "moved part of nbnxn_search.c to nbnxn_atomdata... |
tree | commitdiff |
2012-10-23 |
Berk Hess | moved part of nbnxn_search.c to nbnxn_atomdata.c |
tree | commitdiff |
2012-10-23 |
Roland Schulz | Merge "added OpenMP parallelization for virtual sites... |
tree | commitdiff |
2012-10-22 |
Berk Hess | added OpenMP parallelization for virtual sites |
tree | commitdiff |
2012-10-19 |
Roland Schulz | Merge "[tools] Allow g_dist to use default index group... |
tree | commitdiff |
2012-10-19 |
Kasson | Merge "renamed constraint variables rmdr to vir_r_m_dr... |
tree | commitdiff |
2012-10-19 |
Roland Schulz | Merge "renamed pme_switch... to pme_loadbal..." into... |
tree | commitdiff |
2012-10-18 |
Roland Schulz | Merge "Added thread affinity API to thread_mpi." into... |
tree | commitdiff |
2012-10-18 |
Berk Hess | renamed constraint variables rmdr to vir_r_m_dr |
tree | commitdiff |
2012-10-17 |
Berk Hess | renamed pme_switch... to pme_loadbal... |
tree | commitdiff |
2012-10-17 |
Kasson | Merge "Make Gromacs compile without C++ compiler" into... |
tree | commitdiff |
2012-10-15 |
Sander Pronk | Added thread affinity API to thread_mpi. |
tree | commitdiff |
2012-10-13 |
David van der Spoel | Merge "Fixing issues with replica exchange" into releas... |
tree | commitdiff |
2012-10-12 |
Berk Hess | Merge "Fix illegal barrier in worksharing" into release-4-6 |
tree | commitdiff |
2012-10-10 |
Christoph Junghans | fixed header for 3rd party apps |
tree | commitdiff |
2012-10-08 |
Berk Hess | made non-bonded potential shifts mdp options |
tree | commitdiff |
2012-10-04 |
David van der Spoel | Set return value to FALSE (0) in estimate_dt in libxdrf.c |
tree | commitdiff |
2012-10-03 |
Sander Pronk | Added two #defines that state the gromacs API + program... |
tree | commitdiff |
2012-10-02 |
Szilard Pall | added Verlet scheme and NxN non-bonded functionality |
tree | commitdiff |
2012-10-01 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
tree | commitdiff |
2012-09-27 |
Teemu Murtola | Merge "Fix insolidangle selections near poles." into... |
tree | commitdiff |
2012-09-25 |
Christoph Junghans | Merge "Fix REMD use of gmx_large_int_t for #steps varia... |
tree | commitdiff |
2012-09-24 |
Teemu Murtola | Add pdbname selection keyword. |
tree | commitdiff |
2012-09-24 |
Kasson | Merge "Fixed segfault with FE code for older tpr files... |
tree | commitdiff |
2012-09-13 |
Sander Pronk | Fixed a deadlock in tMPI_Comm_free() |
tree | commitdiff |
2012-09-10 |
Roland Schulz | Merge "Update use of CPack components and add install... |
tree | commitdiff |
2012-09-07 |
Christoph Junghans | Merge "Fix VMD plugins on Windows" into release-4-6 |
tree | commitdiff |
2012-09-06 |
Roland Schulz | Merge "Fixed .g96 trajectory reading." into release... |
tree | commitdiff |
2012-09-04 |
Christoph Junghans | Merge "Fixes too many backup files for *.nroff files... |
tree | commitdiff |
2012-09-03 |
Sander Pronk | Fixed .g96 trajectory reading. |
tree | commitdiff |
2012-09-03 |
Szilard Pall | Merge branch 'release-4-5-patches' into release-4-6 |
tree | commitdiff |
2012-08-23 |
Sander Pronk | Newer version of thread_mpi, with various fixes, includ... |
tree | commitdiff |
2012-08-20 |
Christoph Junghans | Merge "Fixing of things associated with aminoacid.rtp... |
tree | commitdiff |
2012-08-11 |
Mark Abraham | Fixing of things associated with aminoacid.rtp header |
tree | commitdiff |
2012-08-07 |
Christoph Junghans | Merge "fixed incorrect TPI results with dynamic box... |
tree | commitdiff |
2012-08-07 |
Carsten Kutzner | Fixed essential dynamics / flooding group PBC serial |
tree | commitdiff |
2012-07-16 |
Christoph Junghans | Merge "Enforced rotation: PBC/restart fix" into release-4-6 |
tree | commitdiff |
2012-07-15 |
David van der Spoel | Merge "Autogenerate gromacs.7 from programs.txt" into... |
tree | commitdiff |
2012-07-13 |
Roland Schulz | Merge release-4.5-patches into HEAD |
tree | commitdiff |
2012-06-26 |
Roland Schulz | Merge "Fix gmx_fatal for serial compilation" into relea... |
tree | commitdiff |
2012-06-25 |
Szilard Pall | introduce gmx_omp wrapper for the OpenMP API |
tree | commitdiff |
2012-06-24 |
Michael Shirts | Merge "Fix mdp_opt formatting of expanded ensemble... |
tree | commitdiff |
2012-06-22 |
Christoph Junghans | Merge "Simple patch for openmm_wrapper.cpp" into releas... |
tree | commitdiff |
2012-06-19 |
Mark Abraham | Merge "Fixes #882 - looping bug in trxio.c" into relea... |
tree | commitdiff |
2012-06-16 |
Erik Lindahl | New CPU detection & AVX/SSE code, removed raw assembly... |
tree | commitdiff |
2012-06-16 |
David van der Spoel | Fixes #882 - looping bug in trxio.c |
tree | commitdiff |
2012-06-04 |
Michael Shirts | Merging in free energy, exp. ensemble, & andersen t... |
tree | commitdiff |
2012-06-01 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
tree | commitdiff |
2012-06-01 |
Christoph Junghans | Merge "Use External BLAS/LAPACK by default" into releas... |
tree | commitdiff |
2012-06-01 |
Christoph Junghans | Merge "Replace our fftpack version with Numpy's version... |
tree | commitdiff |
2012-05-29 |
Sander Pronk | Removed dependency on windows.h through commrec.h,... |
tree | commitdiff |
2012-05-29 |
Christoph Junghans | Merge "Revised g_tune_pme" into release-4-6 |
tree | commitdiff |
2012-05-27 |
David van der Spoel | Merge "added explicit sqrtf to the float version of... |
tree | commitdiff |
2012-05-25 |
Roland Schulz | Made all vmdio headers private |
tree | commitdiff |
2012-05-25 |
David van der Spoel | Merge "grompp now retains the order of bonds converted... |
tree | commitdiff |
2012-05-25 |
Christoph Junghans | Merge "Fix that sigaction mask wasn't zeroed" into... |
tree | commitdiff |
2012-05-24 |
Berk Hess | now mdrun always initializes MPI |
tree | commitdiff |
2012-05-24 |
Teemu Murtola | Merge "Code cleanup to avoid name collisions" into... |
tree | commitdiff |
2012-05-23 |
Roland Schulz | Code cleanup to avoid name collisions |
tree | commitdiff |
2012-05-22 |
Szilard Pall | added explicit sqrtf to the float version of norm |
tree | commitdiff |
2012-05-18 |
Roland Schulz | Rename BOOL to EBOOL |
tree | commitdiff |
2012-05-17 |
Teemu Murtola | Merge "Fixing more clang warnings" into release-4-6 |
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