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MolSSI-MDI
/
MDI_Library
A library that enables code interoperability via the MolSSI Driver Interface.
BSD 3-Clause "New" or "Revised" License
31
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10
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Add SLURM testing support
#114
taylor-a-barnes
closed
2 years ago
1
Add delay before TCP retries
#113
taylor-a-barnes
closed
2 years ago
1
Fix bug in command registration
#112
taylor-a-barnes
closed
2 years ago
1
Add backwards compatibility for old MDI_Init Python call
#111
taylor-a-barnes
closed
2 years ago
1
Fix bug when compiling without plugin support
#110
taylor-a-barnes
closed
2 years ago
1
Object-Oriented Design Changes
#109
taylor-a-barnes
closed
2 years ago
2
Minor code improvements
#108
taylor-a-barnes
closed
2 years ago
2
Add valgrind tests
#107
taylor-a-barnes
closed
2 years ago
1
Valgrind fixes
#106
taylor-a-barnes
closed
2 years ago
1
Add serial valgrind tests
#105
taylor-a-barnes
closed
2 years ago
1
Fix Valgrind Errors
#104
taylor-a-barnes
closed
3 years ago
1
Improve CMake support for test codes
#103
taylor-a-barnes
closed
3 years ago
1
Fix parallel driver TCP bug
#102
taylor-a-barnes
closed
3 years ago
1
Fix bugs when running TCP in parallel
#101
taylor-a-barnes
closed
3 years ago
1
Improve Python plugin error handling
#100
taylor-a-barnes
closed
3 years ago
1
Fix Fortran plugin initialization bug
#99
taylor-a-barnes
closed
3 years ago
1
Fix bug in TCP comms
#98
taylor-a-barnes
closed
3 years ago
1
Fix bugs when running codes in parallel
#97
taylor-a-barnes
closed
3 years ago
1
Add Fortran and Python support for plugin options
#96
taylor-a-barnes
closed
3 years ago
1
Add functions to query plugin command-line options
#95
taylor-a-barnes
closed
3 years ago
1
Add support for lowercase Python functions
#94
taylor-a-barnes
closed
3 years ago
1
Improve CMake build process
#93
taylor-a-barnes
closed
3 years ago
0
Add -Dpython_version CMake option
#92
taylor-a-barnes
closed
3 years ago
0
Support Automatic Type Conversions
#91
taylor-a-barnes
closed
3 years ago
2
Using other efficient libraries for communication
#90
zerothi
closed
3 years ago
2
Add support for Python plugins
#89
taylor-a-barnes
closed
3 years ago
2
Fix Plugin System memory leaks
#88
taylor-a-barnes
closed
3 years ago
1
Fix Bug in LINK Method
#87
taylor-a-barnes
closed
3 years ago
1
Implement Plugin System
#86
taylor-a-barnes
closed
3 years ago
1
Switch CI to Github Actions
#85
taylor-a-barnes
closed
3 years ago
1
Improve Fortran Wrapper
#84
taylor-a-barnes
closed
3 years ago
1
Engine Tutorial
#83
taylor-a-barnes
closed
3 years ago
1
Add MDI_LABEL_LENGTH parameter
#82
taylor-a-barnes
closed
3 years ago
1
Add pip support
#81
mdi-manager
closed
3 years ago
1
Add i-PI test
#80
taylor-a-barnes
closed
3 years ago
0
Update doxygen
#79
taylor-a-barnes
closed
3 years ago
0
Fix bug in CXX support
#78
taylor-a-barnes
closed
3 years ago
0
Add support for MDI_BYTE in LIBRARY method
#77
taylor-a-barnes
closed
4 years ago
2
Mpi
#76
taylor-a-barnes
closed
4 years ago
1
Add MDI_BYTE data type
#75
taylor-a-barnes
closed
4 years ago
1
Refactor send / recv functions
#74
taylor-a-barnes
closed
4 years ago
1
Fix MPI header information
#73
taylor-a-barnes
closed
4 years ago
1
Fix LGTM alerts
#72
taylor-a-barnes
closed
4 years ago
3
Improve Windows Support
#71
taylor-a-barnes
closed
4 years ago
2
Add .azure-pipelines directory
#70
taylor-a-barnes
closed
4 years ago
1
Rename MDI_NULL_COMM to MDI_COMM_NULL
#69
taylor-a-barnes
closed
4 years ago
1
Mpi
#68
taylor-a-barnes
closed
4 years ago
1
MDI_NULL_COMM naming convention?
#67
zerothi
closed
4 years ago
1
Switch to multi-line import in __init__.py
#66
taylor-a-barnes
closed
4 years ago
2
Reduce code duplication in mpi4py send/recv
#65
taylor-a-barnes
closed
4 years ago
1
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