Commits

Commits on Jul 8, 2024

new version
moritzgubler
committedJul 8, 2024

Commits on Nov 1, 2023

add mechanism that allows writing of output files
moritzgubler
committedNov 1, 2023

Commits on Aug 18, 2023

add comments, use block instead of loop
moritzgubler
committedAug 18, 2023
use block api to calculate difference list.
moritzgubler
committedAug 18, 2023

Commits on Aug 17, 2023

updated constructur
moritzgubler
committedAug 17, 2023

Commits on May 12, 2023

added counter
moritzgubler
committedMay 12, 2023
fix
moritzgubler
committedMay 12, 2023
Merge branch 'main' of https://github.com/moritzgubler/vc-sqnm
moritzgubler
committedMay 12, 2023
added some output
moritzgubler
committedMay 12, 2023

Commits on Feb 4, 2023

dont return tuple when lower bound is called
moritzgubler
committedFeb 4, 2023

Commits on Feb 1, 2023

removed print and corrected subspace typo
moritzgubler
committedFeb 1, 2023

Commits on Jan 17, 2023

corrected calcualation of lattice derivative
moritzgubler
committedJan 17, 2023
fixed wrong input parameters for step functions
moritzgubler
committedJan 17, 2023

Commits on Jan 16, 2023

added optimization function
moritzgubler
committedJan 16, 2023
added asewrapper for geometry optimizations
moritzgubler
committedJan 16, 2023
fixed typo in documentation
moritzgubler
committedJan 16, 2023

Commits on Jan 13, 2023

adjusted paths for pip
moritzgubler
committedJan 13, 2023
created better python tests
moritzgubler
committedJan 13, 2023
updated pipignore with python template
moritzgubler
committedJan 13, 2023
moved files around for pip
moritzgubler
committedJan 13, 2023

Commits on Nov 28, 2022

Merge branch 'main' of https://github.com/moritzgubler/vc-sqnm
moritzgubler
committedNov 28, 2022
added cupy support
moritzgubler
committedNov 28, 2022
free_or_fixed_cell_sqnm.py
moritzgubler
committedNov 28, 2022
added cupy support
moritzgubler
committedNov 28, 2022
integrated gpu in sqnm class
moritzgubler
committedNov 28, 2022

Commits on Nov 23, 2022

Merge pull request #3 from moritzgubler/develop
moritzgubler
committedNov 23, 2022
Merge pull request #2 from moritzgubler/main
moritzgubler
committedNov 23, 2022
corrected python step size estimation
moritzgubler
committedNov 23, 2022
improved initial step size estimation in python version
moritzgubler
committedNov 23, 2022

Commits on Nov 16, 2022

Merge branch 'develop'
moritzgubler
committedNov 16, 2022
Added message containing initial step size guess
moritzgubler
committedNov 16, 2022
added implementation of initial step size estimate
moritzgubler
committedNov 16, 2022
implemented initial step size estimation
moritzgubler
committedNov 16, 2022
adjusted eps_default parameter from 10^-4 to 10^-3
moritzgubler
committedNov 16, 2022
added initial step size guessing mechanism
moritzgubler
committedNov 16, 2022