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colin-daniels
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sp2
Computational condensed matter research code written in C++. Primary applications relate to low-dimensional carbon nanomaterials, phonons, and structural optimization.
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Trouble building in ubuntu 20.04
#28
ExpHP
opened
3 years ago
3
Develop
#27
colin-daniels
closed
4 years ago
0
Merge develop
#26
colin-daniels
closed
4 years ago
0
Merge develop
#25
colin-daniels
closed
4 years ago
0
Setup GitHub Actions
#24
colin-daniels
closed
4 years ago
0
ctrl-c doesn't work
#23
ExpHP
closed
7 years ago
6
fix comment in acgsd
#22
ExpHP
closed
7 years ago
0
possible discrepancy between acgsd and linesearch for positive initial slopes
#21
ExpHP
opened
7 years ago
1
consider scaling grad_norm by N
#20
ExpHP
opened
7 years ago
2
acgsd rewrite
#19
ExpHP
closed
7 years ago
0
fix json warnings
#18
ExpHP
closed
7 years ago
0
fix serialize methods to not just return true
#17
ExpHP
closed
7 years ago
0
Cmake reorganization and documentation system.
#16
colin-daniels
closed
7 years ago
1
truly, honestly to god doing zero iterations in acgsd
#15
ExpHP
closed
7 years ago
3
Neighbor finding is wrong sometimes (excluding LAMMPS).
#14
colin-daniels
opened
7 years ago
0
specific versions of dependencies should be downloaded and not just the latest
#13
ExpHP
closed
4 years ago
2
Optional iteration limits in config (take 2)
#12
ExpHP
closed
7 years ago
2
Optional iteration limits in config
#11
ExpHP
closed
7 years ago
3
don't just use -=floor to put values in [0,1)
#10
ExpHP
closed
7 years ago
1
Metropolis supercell, python bindings -- take 2
#9
ExpHP
closed
7 years ago
2
Fractional utils on `structure_t`
#8
ExpHP
closed
7 years ago
1
update gitignore
#7
ExpHP
closed
7 years ago
0
Metropolis and python bindings
#6
ExpHP
closed
7 years ago
4
add metropolis and python bindings
#5
ExpHP
closed
7 years ago
1
(WIP) error on json type errors
#4
ExpHP
closed
7 years ago
0
use stderr for errors and warnings
#3
ExpHP
closed
7 years ago
0
polarization_axes serialization
#2
ExpHP
closed
7 years ago
1
cannot use cmake (multiple targets named "gmock")
#1
ExpHP
closed
7 years ago
1