Thermotools

Latest version: v0.2.7

Safety actively analyzes 687881 Python packages for vulnerabilities to keep your Python projects secure.

Scan your dependencies

Page 2 of 4

0.2.0

- Use ttrajs, dtrajs instead of the 2D dtraj argument in state_counts() and count_matrices()
- New feature: the state-continuous TRAM estimator

0.1.14

- Collect convergence information under save_convergence_info instead of err_out and lll_out
- Adding bias averaging function

0.1.13

- Adding tags to estimators' C functions to allow reusing code
- Adding util function to compute bias energies from umbrella sampling

0.1.12

- Fixing Windows-related bug

0.1.11

- Fixing MANIFEST.in for building source distribution

0.1.10

- Replace _MS_VER-dependent check by a defined check for INFINITY and NAN in _util.h
- Adding a callback to WHAM and dTRAM
- Refactoring continuous integration

Page 2 of 4

© 2024 Safety CLI Cybersecurity Inc. All Rights Reserved.