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SSCHAcode
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python-sscha
The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
GNU General Public License v3.0
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Computation of d3 and d4 very slow for systems with many symmetries
#21
mesonepigreco
closed
3 years ago
1
Remove some junk files created when the population is generated
#20
rafbianco
opened
4 years ago
3
The update rho in the polarization space
#19
mesonepigreco
closed
2 years ago
1
Time to update the weights is too high
#18
mesonepigreco
closed
4 years ago
1
A full test-suite
#17
mesonepigreco
closed
3 years ago
1
Automatic Bulk Modulus calculation
#16
mesonepigreco
opened
4 years ago
1
Print forces at the end of the minimization and the Wyckoff gradient even if minim_struct is false
#15
mesonepigreco
closed
2 years ago
1
Atomic position in output when the automatic relaxation is on
#14
mesonepigreco
closed
2 years ago
1
Wrong name of the final output of the sscha script
#13
mesonepigreco
closed
2 years ago
1
Compare the advances on the MPI with respect to the master
#12
mesonepigreco
closed
3 years ago
0
Added the MPI parallelization to the Lanczos in the supercell
#11
mesonepigreco
closed
3 years ago
0
Dynamical supercell
#10
mesonepigreco
closed
5 years ago
0
Implement v4
#9
mesonepigreco
closed
5 years ago
0
Bug on IS, Gradient and Free energy
#8
mesonepigreco
closed
4 years ago
2
Supercell
#7
mesonepigreco
closed
4 years ago
1
Stress tensor evaluation
#6
mesonepigreco
closed
4 years ago
1
Mode locking
#5
mesonepigreco
closed
4 years ago
1
Sqrt and Root4 minimization
#4
mesonepigreco
closed
4 years ago
1
Preconditioning
#3
mesonepigreco
closed
4 years ago
1
Implement the gradient
#2
mesonepigreco
closed
6 years ago
1
Importance Sampling
#1
mesonepigreco
closed
4 years ago
1
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