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SetGlobas/MolHandling(fixes)/DicePlayer Translation

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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>
This commit is contained in:
Vitor Hideyoshi
2021-10-24 00:55:11 -03:00
committed by Vitor Hideyoshi
parent 316acf4761
commit 6017f272b3
5 changed files with 64 additions and 77 deletions
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run.log.backup
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@@ -2,10 +2,10 @@
############# Welcome to DICEPLAYER version 1.0 #############
##########################################################################################
Your python version is 3.8.8 (default, Apr 13 2021, 19:58:26)
[GCC 7.3.0]
Your python version is 3.8.12 (default, Oct 7 2021, 05:40:48)
[GCC 11.1.0]
Program started on Saturday, 25 Sep 2021 at 15:23:44
Program started on Sunday, 24 Oct 2021 at 00:44:02
Environment variables:
OMP_STACKSIZE = Not set
@@ -50,7 +50,6 @@ title = Diceplayer run
GAUSSIAN variables being used in this run:
------------------------------------------------------------------------------------------
chglevel = MP2/aug-cc-pVTZ
chgmult = 0 1
level = MP2/aug-cc-pVTZ
pop = chelpg
@@ -176,5 +175,3 @@ Molecule type 2:
Dipole moment = ( 1.8148 , 1.4689 , -0.0016 ) Total = 2.3347 Debye
==========================================================================================
Starting the iterative process.