1.0.0 (2023-07-03) Features check number of heavy atoms for surge (670a2c2) detailed version information (1a52bea) improved and detailed documentation (5a6f6ea) Bug Fixes closing line break - br tag (317847b) decimer canonicalisation (ec827ba) failing tests (dddd387) updated surge max HA atom count error response (3ce5fa8) version documenation update (e6dc17f) Documentation added reference or credits to grafana and prometheus blog post (26923fd) update links in installation (9faad2f)If you use this software, please cite it as below
Additional file 1. Full computational details, benchmark and limitations of ACC, along with supporti...
Correct density data with CRC Handbook of Chemistry and Physics as the data source PR#39 that fixes ...
This database includes all global trade data of the three types of highly hazaroudous chemicals list...
0.5.3 (2023-03-23) Bug Fixes remove other release cond (9e21ac0)If you use this software, please ci...
1.4.0 (2023-09-07) Features added file upload option to ocsr routes (fixes #328) (5098744) added fi...
FYS-4096 Computational Physics, project 1 Topic: Above-threshold ionization of 1D hydrogen The sof...
Fix: increased cut-off to VoronoiNN to avoid scipy crash (@utf) Fix: Outcar parsing issues with cert...
What's Changed Fix pre-commit.ci isort error by @janosh in https://github.com/materialsproject/pyma...
Bug Fixes better deal with non possible isotopic distribution (negative number of atoms) (7bb9d6b
MEAMfit v1.02. Changes: various bug fixes; speed of single-shot energy and force calculations (not o...
Changelog: Bugfixes (code) Resolved issue with entropy calculation for very high temperatures (#172...
Additional file 1. Full computational details, benchmark and limitations of ACC, along with supporti...
Correct density data with CRC Handbook of Chemistry and Physics as the data source PR#39 that fixes ...
This database includes all global trade data of the three types of highly hazaroudous chemicals list...
0.5.3 (2023-03-23) Bug Fixes remove other release cond (9e21ac0)If you use this software, please ci...
1.4.0 (2023-09-07) Features added file upload option to ocsr routes (fixes #328) (5098744) added fi...
FYS-4096 Computational Physics, project 1 Topic: Above-threshold ionization of 1D hydrogen The sof...
Fix: increased cut-off to VoronoiNN to avoid scipy crash (@utf) Fix: Outcar parsing issues with cert...
What's Changed Fix pre-commit.ci isort error by @janosh in https://github.com/materialsproject/pyma...
Bug Fixes better deal with non possible isotopic distribution (negative number of atoms) (7bb9d6b
MEAMfit v1.02. Changes: various bug fixes; speed of single-shot energy and force calculations (not o...
Changelog: Bugfixes (code) Resolved issue with entropy calculation for very high temperatures (#172...
Additional file 1. Full computational details, benchmark and limitations of ACC, along with supporti...
Correct density data with CRC Handbook of Chemistry and Physics as the data source PR#39 that fixes ...
This database includes all global trade data of the three types of highly hazaroudous chemicals list...