Commit Graph

7 Commits

Author SHA1 Message Date
49d509029f Dice Processes
This commit creates and fixes the Dice process: NVT.ter, NPT.ter, NPT.eq

Signed-off-by: Vitor Hideyoshi <vitor.h.n.batista@gmail.com>
2021-12-06 21:20:35 -03:00
0d877e3dce Dice Player Translation, Initial work on Dice Processes
This commit adds the functions responsible for creating Dice inputs and calling dice it self, the original functions were removed from the Dice.py file and added to SetGlobals' Internal and Dice classes

Signed-off-by: Vitor Hideyoshi <vitor.h.n.batista@gmail.com>
2021-12-06 21:20:35 -03:00
f5e4c7ba1f DicePlayer Translation
check_executables was disabled for testing and now it'll be enabled again for new testing

Signed-off-by: Vitor Hideyoshi <vitor.h.n.batista@gmail.com>
2021-12-06 21:20:34 -03:00
6017f272b3 SetGlobas/MolHandling(fixes)/DicePlayer Translation
Fixed Numerus functions in the SetGlobals file and MolHandling, translated DicePlayer and tested till, such as inertia_tensor, add_type, center_of_mass_to_origin. standard_orientation; and removed chglevel keyword

Signed-off-by: Vitor Hideyoshi <vitor.h.n.batista@gmail.com>
2021-12-06 21:20:34 -03:00
316acf4761 SetGlobas/MolHandling(fixes)/DicePlayer Translation
Fixed Numerus functions in the SetGlobals file and MolHandling, translated DicePlayer and tested till printing of initial geometry for cyc==1

Signed-off-by: Vitor Hideyoshi <vitor.h.n.batista@gmail.com>
2021-12-06 21:20:34 -03:00
292995d0ea Initial work in the Molecule and Atom class
Signed-off-by: Vitor Hideyoshi <vitor.h.n.batista@gmail.com>
2021-12-06 21:20:33 -03:00
7d74c3fb3e versioning fix
Signed-off-by: Vitor Hideyoshi <vitor.h.n.batista@gmail.com>
2021-12-06 21:20:33 -03:00