Commit Graph

19 Commits

Author SHA1 Message Date
c1aa49b22c Updates Versioning Pipeline 2024-07-24 00:19:45 -03:00
c4dae5e8d1 Adds Formatter to Project 2023-06-11 16:05:43 -03:00
8bed68c451 Fixes Continue from Last Run and Implements Geoms File 2023-06-10 23:56:57 -03:00
d0be244d3c Implements Saves for Last Successful Run 2023-06-05 19:01:36 -03:00
33612f2d7b Implements Refactoring in Player Class and Initial Working Version 2023-06-02 20:20:38 -03:00
56994dba27 Renames Old Log File if It Exists 2023-04-28 03:55:07 -03:00
9c822c6848 Adds Functionality to Logger 2023-04-27 05:18:05 -03:00
9202331852 Finishes DiceInterface Refactoring and Continues Tests Implementation 2023-04-24 12:16:00 -03:00
b869ee74fb Implements More Tests and Begins Dice Refactor Implementation 2023-04-22 11:29:08 -03:00
71744641ff Read Potentials and Initial Testing 2023-03-04 16:20:25 -03:00
6fcdb0919f Relaxation of Molecular Charges - v0.0.1 2022-08-12 10:13:35 -03:00
bd35d5057a Adding stable dependencies to project 2022-06-02 13:42:37 -03:00
e54b3e55fa Fixes Player Class Implementation 2022-06-01 20:06:00 -03:00
44cb4268ef Implements the Use of a Simple DTO for Communication Between Classes 2022-05-31 09:55:19 -03:00
4ae8385918 Initial Folder Rework Implementation
Adds the Environment, External, Utils folder inside de DPpack. All classes are going to be implemented there
2022-05-31 09:13:08 -03:00
8cf9188c6d Creation of Binary with cx_Freeze 2022-02-21 13:55:21 +00:00
5efe49607d Separated Completely Dice in Dice.py and Fixed Continue Feature in Dice
This commit separates the Dice class in a Dice.py file stored in DPacks/external, also fixes the continue feature in the Dice class.

Signed-off-by: Vitor Hideyoshi <vitor.h.n.batista@gmail.com>
2022-02-21 04:59:00 +00:00
926ffc5c6b Translation of Gaussian Processes and Step Calculations Fixes
This commit temporarily uses Gaussian Heassian for step calculations, fixes fchk file reading, fixes step calculation, fixes log file and geoms formation. Also this commit adds type hinting to improve and facilitate the program development.
2021-12-08 21:16:06 -03:00
2a4e9eff0c Initial Translation of Gaussian Processes and Packaging of DicePlayer python module
This commit adds the methods that were present in the Gaussian.py file into the SetGlobals.py file and packages the program into a diceplayer module so it can be ran using 'python3 -m diceplayer'

Signed-off-by: Vitor Hideyoshi <vitor.h.n.batista@gmail.com>
2021-12-06 21:20:35 -03:00