Check for division by zero when scaling by total mass of group or chunk #75
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taylor-a-barnes
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625ad59b5 Improve error handling in mdi_general.c 20a05609d Update version number 9c216725b Update install location in .travis.yml script 3f0caa558 Update MDI install location eea64df16 Update Travis CI badge location b1876fbd8 Update patch version dea68df13 Update documentation link in README.md 8e92374e8 Merge pull request lammps#77 from MolSSI/lgtm 6c58a9949 Add support for MDI_BYTE in LIBRARY method db651af30 Update CMake to use relative directories 08062a251 Merge pull request lammps#76 from MolSSI/mpi 270c4ff45 Update azure VM 605a15677 Remove is_python code variable 0a1f50b1c Add MPI method data structure ddde81aa5 Simplify MPI communicator determination 6d147044a Merge pull request lammps#75 from MolSSI/bytes 60ad25f11 Merge branch 'master' into bytes 7302f5595 Add test MDI_BYTE test 50bd23751 Add MDI_BYTE to mpi stubs f5216a8d6 Add MDI_BYTE data type fde75cc53 Add type conversion to LIB method 96c43f106 Fix bug in library receive 7b4d48b02 Fix bug when receiving from non-zero rank f29541547 Remove obsolete message functions e620f9dc4 Add send and recv function pointers d54cb64fd Refactor LIB method receive a1d2e91e4 Refactor LIB send method 73eaa5c68 Refactor TCP message code 40e8257b0 Merge pull request lammps#74 from MolSSI/simplify bc6048d60 Add type conversion to LIB method 062faf0fc Fix bug in library receive a62bc5d9f Fix bug when receiving from non-zero rank 47cf34b4a Remove obsolete message functions a045d6e10 Add send and recv function pointers c96b381ae Refactor LIB method receive 5fff73081 Refactor LIB send method 47cef11c9 Refactor TCP message code d962a3d2c Merge pull request lammps#73 from MolSSI/mpi_header ef22b61de Fix MPI header information f698e547d Update version number 0bfeb6924 Merge pull request lammps#72 from MolSSI/lgtm 1f2da28e5 Update TCP send/recv return types on Windows b55ea109b Fix LGTM alerts bb6404dee Rename Visual Studio build afec6c8af Add clang-cl test on Windows 2c5394e4e Merge pull request lammps#71 from MolSSI/vs 9d15d7091 Update definition of tcp_socket cb7bb63cb Declare all sockets as sock_t type ff096e1ed Define sock_t 1c8f3e8b9 Use SOCKET type on Windows 21f07bd27 Fix compiler warnings 3796fa74c Replace strcpy with snprintf 9b3ff97bf Fix some VS warnings dad41a1d2 Cast lib method buffer to char* 8a8131f09 Fix header allocation 3cafefe36 Modify error printing a57320d57 Add VS build 7042df160 Merge pull request lammps#70 from MolSSI/azure2 5ac6a93fb Add .azure-pipelines directory a6b63bd6d Merge pull request lammps#69 from MolSSI/null_comm b683563de Rename .codecov.yml to codecov.yml 92e08cdbc Update documentation e633b3cd0 Change name of MDI_NULL_COMM to MDI_COMM_NULL d5c09429f Merge pull request lammps#68 from MolSSI/mpi 08959144c Fix bug in Python mpi4py initialization f4217344d Add Python support for MDI initialization of MPI 47a1c0ba7 Catch error when using MPI method and MPI stubs 10ce554b6 Make driver call MPI_Finalize when needed d9033d0f3 Add call to MPI_Finalize 393615677 Rename driver_cxx_serial to driver_serial_cxx 4212214e1 Fix logic for mpi4py callbacks 214c2b3a9 Add CXX serial MPI test 7d3cdf697 Add MPI_Initialized stub 3224fd297 Add check for MPI_Initialized b66cbeccc Fix bug in NumPy array conversion 23878bd30 Merge pull request lammps#66 from MolSSI/lgtm 827270c6f Switch to multi-line import in __init__.py 453d98590 Add acknowledgements to README.md 9b567912c Add acknowledgements to documentation 153f7e2d3 Remove tab from codecov.yml 370ab6feb Merge pull request lammps#65 from MolSSI/lgtm 03d895962 Adjust codecov patch target 4f966f63a Make travis build print verbose output fc7f81be3 Reduce code duplication in mpi4py send/recv 3e609e5ed Merge pull request lammps#64 from MolSSI/reshape 54f8c0b29 Enable multiple dimensions for numpy arrays 7517f16e7 Merge pull request lammps#63 from MolSSI/numpy c4ca54ef6 Add optional buf argument to Python MDI_Recv 7dc8a6e0b Remove python import of NUMPY datatypes 4ada74335 Remove references to NUMPY datatypes 66f9efb11 Remove codecov diff check 4932f25a1 Add mpi4py_get_np_array function 7d666ccd8 Update comments 463bdf235 Replace NUMPY datatypes with keyword option 5e8ff01b4 Merge pull request lammps#62 from MolSSI/header 1645b76d3 Add .codecov.yml 6b22bf914 Add standard py error messages to callbacks 5236d33cd Improve py error checking 80e83749d Improve error checking for py callbacks af90e3182 Add explicit tuple conversions in py wrapper a36dfb2a7 Switch to MDI_INT for py header info bb6f0db37 Update version number check for LIB protocol 50898dfd6 Add communication of header to LIB protocol c76ef15eb Change Py header type to MDI_INT_NUMPY 76ec097a4 Fix communication of MPI header info b4771026d Add communication of header to MPI protocol 56738dba5 Fix TCP header comparison c8a0c186c Add communication of header to TCP protocol 1158fc283 Fix formatting of error message 9d8294f2e Update rounding in python test 72910ca34 Update documentation header ed4917cd7 Update logo a233c80f6 Resize logo 8c6b59c71 Add logo to documentation da0e04df0 Update documentation f96ffed65 Merge pull request lammps#61 from MolSSI/node_name 0796bcd13 Rename @global to @default 7db6631e3 Improve overview in README.md 03ec9c92e Merge pull request lammps#60 from MolSSI/cmake 68075981f Fix bug in -Dmpi CMake option 8155e5230 Merge pull request lammps#59 from MolSSI/standard 73b9d52e1 Update documentation a0aa58abf Update MDI version number 5007f222f Update documentation git-subtree-dir: lib/mdi git-subtree-split: 625ad59b5c05d40b56cbd434820643e3b65de194
akohlmey
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Several properties in LAMMPS require a division by the total mass of a collection of atoms. This could result in a division by zero for empty groups, regions or chunks and should be avoided.
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