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softmaterialslab
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nanoconfinement-md
This code allows users to simulate ions confined between material surfaces that are nanometers apart, and extract the associated ionic structure.
Apache License 2.0
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Caching output data
#40
kadupitiya
opened
6 years ago
1
production begin and write density parameters mapped using simulation…
#39
kadupitiya
closed
6 years ago
1
Production begin steps should change with time steps?
#38
smarru
closed
6 years ago
9
Commented one return statement
#37
kadupitiya
closed
6 years ago
0
Changed the IO file paths and boost inputs
#36
kadupitiya
closed
6 years ago
0
Suggesting changes to makefile from hubzero
#35
smarru
closed
6 years ago
2
parametrize output and datafile names and path
#34
smarru
closed
6 years ago
6
Add config file to pass input values
#33
smarru
closed
6 years ago
8
Re-organizing code to confirm with nanohub tool publishing.
#32
smarru
closed
6 years ago
1
Rappture
#31
jadhao
closed
6 years ago
0
Rappture
#30
jadhao
closed
6 years ago
0
Changed the input parameters and completion printing added
#29
kadupitiya
closed
6 years ago
4
Adjusted according to the comment
#28
kadupitiya
closed
6 years ago
0
Optimized the openMP code
#27
kadupitiya
closed
6 years ago
0
Changes made to parallelize the energy calculation
#26
kadupitiya
closed
6 years ago
0
transition to rappture
#25
jadhao
closed
6 years ago
2
Changed the mdforces and md classes to use MPI all gather function
#24
kadupitiya
closed
6 years ago
1
Changed the jobScript for optimum settings
#23
kadupitiya
closed
6 years ago
4
updated the missed force.h file
#22
kadupitiya
closed
6 years ago
3
Accelerate
#21
kadupitiya
closed
6 years ago
3
Changed the mdforces class to support MPI discretization
#20
kadupitiya
closed
6 years ago
1
Changed the MD class to support MPI discretization
#19
kadupitiya
closed
6 years ago
1
only added function file
#18
kadupitiya
closed
6 years ago
2
"comments are addressed"
#17
kadupitiya
closed
6 years ago
1
Revert "Comments are addressed" and md.cpp because of on the fly change as I was doing some cosmetics
#16
jadhao
closed
6 years ago
0
Changed the MD class to support MPI discretization
#15
kadupitiya
closed
6 years ago
0
Changed the MD class to support MPI discretization
#14
kadupitiya
closed
6 years ago
1
Comments are addressed
#13
kadupitiya
closed
6 years ago
2
just changed the basic structure of the project to support mpi
#12
kadupitiya
closed
6 years ago
3
Small change as suggested and a bug fix in job script.
#11
kadupitiya
closed
6 years ago
1
Revert "Revert "change the force.h for testing""
#10
nasimanousheh
closed
6 years ago
0
Revert "change the force.h for testing"
#9
jadhao
closed
6 years ago
0
Did few changes to support OpenMP
#8
kadupitiya
closed
6 years ago
0
Makefile and Job script corrections
#7
kadupitiya
closed
6 years ago
3
change the force.h for testing
#6
nasimanousheh
closed
6 years ago
0
added a new parameter for aprun command
#5
kadupitiya
closed
6 years ago
0
specify the fopen flag to create object files
#4
smarru
closed
6 years ago
1
transition openmp to mpi
#3
jadhao
closed
6 years ago
3
What am I doing today
#2
jadhao
closed
6 years ago
0
testing pull requests
#1
smarru
closed
6 years ago
0
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