Commit Graph

7 Commits

Author SHA1 Message Date
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
2f9cecee34 SetGlobas Translation - Final (without ghosts and lp)
Internal methods fixes: check_executables

Signed-off-by: Vitor Hideyoshi <vitor.h.n.batista@gmail.com>
2021-12-06 21:20:34 -03:00
63d3d5f40d SetGlobas Translation - Final (without ghosts and lp)
Internal methods translations: read_potential, print_potential

Signed-off-by: Vitor Hideyoshi <vitor.h.n.batista@gmail.com>
2021-12-06 21:20:34 -03:00
d9da04419a SetGlobas Translation - Most
Internal methods translations: read_keywords, check_keywords, print_keywords, read_potential

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
2899031b71 v0.0.1
Signed-off-by: Vitor Hideyoshi <vitor.h.n.batista@gmail.com>
2021-12-06 21:20:32 -03:00