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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
32
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11
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Reduce code duplication in mpi4py send/recv
#65
taylor-a-barnes
closed
4 years ago
1
Enable multiple dimensions for numpy arrays
#64
taylor-a-barnes
closed
4 years ago
1
Numpy
#63
taylor-a-barnes
closed
4 years ago
1
Add header to communicated data
#62
taylor-a-barnes
closed
4 years ago
1
Rename @GLOBAL to @DEFAULT
#61
taylor-a-barnes
closed
4 years ago
0
Fix bug in -Dmpi CMake option
#60
taylor-a-barnes
closed
4 years ago
1
Update Documentation
#59
taylor-a-barnes
closed
4 years ago
1
Add MDI_Get_Role function
#58
taylor-a-barnes
closed
4 years ago
1
Switch to integers for version number
#57
taylor-a-barnes
closed
4 years ago
1
Coverage
#56
taylor-a-barnes
closed
4 years ago
1
Add physconst.h
#55
taylor-a-barnes
closed
4 years ago
1
Coverage
#54
taylor-a-barnes
closed
4 years ago
1
Coverage
#53
taylor-a-barnes
closed
4 years ago
1
Coverage
#52
taylor-a-barnes
closed
4 years ago
1
Coverage
#51
taylor-a-barnes
closed
4 years ago
1
Coverage
#50
taylor-a-barnes
closed
4 years ago
1
Test codes
#49
taylor-a-barnes
closed
4 years ago
1
Test codes
#48
taylor-a-barnes
closed
4 years ago
0
Library
#47
taylor-a-barnes
closed
4 years ago
0
Add LIBRARY communication method
#46
taylor-a-barnes
closed
4 years ago
0
Automate communication of node information
#45
taylor-a-barnes
closed
4 years ago
2
Improve support for the Node System
#44
taylor-a-barnes
closed
4 years ago
0
Update .travis.yml
#43
taylor-a-barnes
closed
4 years ago
0
Add f2c MPI communicator conversions
#42
taylor-a-barnes
closed
5 years ago
0
Windows
#41
taylor-a-barnes
closed
5 years ago
0
Fortran windows
#40
taylor-a-barnes
closed
5 years ago
0
Test scripts
#39
taylor-a-barnes
closed
5 years ago
0
Add an MDI_Get_Role function
#38
taylor-a-barnes
closed
4 years ago
0
Add Support for Ghost Atoms
#37
taylor-a-barnes
opened
5 years ago
0
Add <CHANGES Command
#36
taylor-a-barnes
closed
4 years ago
1
Make <COMMANDS Node-Specific
#35
taylor-a-barnes
closed
4 years ago
0
Add MPI_Abort to mdi_error
#34
taylor-a-barnes
closed
4 years ago
0
Add RECEPIENT and SENDER commands
#33
taylor-a-barnes
opened
5 years ago
0
Add SUBSET command
#32
taylor-a-barnes
opened
5 years ago
0
Update the MDI Tutorials
#31
taylor-a-barnes
closed
4 years ago
0
Document the -out Command Line Option
#30
taylor-a-barnes
closed
5 years ago
0
Improve Documentation of Node System
#29
taylor-a-barnes
opened
5 years ago
1
Improve Communication of Grid-Based Quantities
#28
taylor-a-barnes
opened
5 years ago
0
Add <ROTATION Command
#27
taylor-a-barnes
opened
5 years ago
0
Add Support for IPv6 TCP Addresses
#26
taylor-a-barnes
opened
5 years ago
0
Add Fortran Compilation to Azure DevOps Build
#25
taylor-a-barnes
closed
4 years ago
0
Update Documentation of Commands
#24
taylor-a-barnes
closed
5 years ago
3
Set up CI with Azure Pipelines
#23
taylor-a-barnes
closed
5 years ago
10
Advanced Sampling
#22
bdice
closed
5 years ago
1
Change Cmake to Default to a Shared Library
#21
taylor-a-barnes
closed
5 years ago
0
Change MDI_Open to MDI_Request_Connection
#20
taylor-a-barnes
closed
5 years ago
0
Ensure Compatibility of Name and Command Length On Connect
#19
taylor-a-barnes
closed
5 years ago
0
Error Check Command Support
#18
taylor-a-barnes
closed
5 years ago
0
I-PI Compatibility Option
#17
taylor-a-barnes
closed
5 years ago
0
Error Check Message Lengths and Data Types
#16
taylor-a-barnes
closed
4 years ago
0
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