Commits

History for

Commits on Feb 28, 2024

Check flow of the new tutorials.
r-masuki
committed
ac3691a

Commits on Feb 27, 2024

Write the tutorial on anharmonic IFC calculation of silicon.
r-masuki
committed
d982a67
Add discussions on free energies in the tutorial of BaTiO3.
r-masuki
committed
502d28d

Commits on Feb 26, 2024

Collect input and output files to example/BaTiO3/scph_relax/
r-masuki
committed
95fb573
Collected reference results in example/ZnO/qha_relax/reference.
r-masuki
committed
d66d056
Write the tutorial on QHA-based structural optimization of wurtzite ZnO.
r-masuki
committed
37f03c5
Change directory structure in example/BaTiO3.
r-masuki
committed
f4ac443
Modification on tutorial of IFC calculation for BaTiO3.
r-masuki
committed
4a17b51

Commits on Feb 25, 2024

Write the tutorial on CV and optimize for anharmonic IFCs of BaTiO3.
r-masuki
committed
02e93fe

Commits on Feb 23, 2024

Add tutorial on the calculation of anharmonic IFCs of BaTiO3.
r-masuki
committed
87509af

Commits on Apr 1, 2023

Updated documents and example files
ttadano
committed
f44ff75
Added SrTiO3 scph tutorial, updated documents and example files
ttadano
committed
3675cf3
Added example files for STO tutorial and code reformatting
ttadano
committed
16e6f40
Added and removed files for PbTe tutorial
ttadano
committed
0194632
Added reference files for PbTe tutorial
ttadano
committed
2a32c64
Updated tutorial for PbTe
ttadano
committed
c92816a

Commits on Jan 26, 2023

Merge branch 'tools_options' of https://github.com/nim-hrkn/alamode into nim-hrkn-tools_options
ttadano
committed
d63d3bc

Commits on Apr 29, 2022

Minor updates of a script file in Si_LAMMPS example
ttadano
committed
22be303

Commits on Jan 26, 2022

Update reference xml data for Si tutorial
ttadano
committed
20d01b8

Commits on Dec 27, 2021

Add reference files for tutorial
ttadano
committed
7acde6d

Commits on Dec 15, 2021

Update the reference data of si222.kl
ttadano
committed
87c7aac

Commits on Jul 15, 2021

In document, frequency should be squared in the denominator of the Gruneisen parameter.
ttadano
committed
0e927e4

Commits on Apr 29, 2021

Minor updates
ttadano
committed
775fcd9

Commits on Jul 21, 2020

Update installation documents and CMakeLists.txt
ttadano
committed
a3ebbab

Commits on May 1, 2019

Commits on Apr 26, 2019

Update tutorial page
ttadano
committed
ac9796f

Commits on Oct 19, 2018

Refactoring python scripts for parsing (disp,force) datasets
ttadano
committed
86112c1

Commits on May 3, 2018

Change LAMMPS parser to handle possible changes of the order of atoms in LAMMPS dump files.
ttadano
committed
d971e10

Commits on Feb 10, 2018

Update reference files in Si_OpenMX
ttadano
committed
bf74832
Update reference files in example/Si (generated with QE).
ttadano
committed
cebf0ab

Commits on Feb 6, 2018

add Si_OpenMX
TnakaTnakaTnaka
committed
b397c6b