753a8cb964
Changes Versioning System for Better Publicly
2023-06-11 01:20:00 -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
b440a0f05d
Implements Additional Logs and class Player Tests
2023-05-03 03:16:49 -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
f1deff4786
Implementation of Logger and Finishes DiceInterface Tests
2023-04-27 03:48:23 -03:00
420b36b872
Implementa Test para Metodo make_init_file
2023-04-26 21:25:00 +00:00
a13088c409
Fixes Test for configure Method in DiceInterface
2023-04-25 14:01:32 +00:00
e9a246812c
Implements More Tests for the DiceInterface Class
2023-04-25 10:05:18 -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
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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
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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
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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
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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
