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A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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Tag: Branch: Tree: c358e85739
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CMMDE/examples/larutan/UreaAir/urea
Aditya Wibawa Sakti 175a7c6f52
First launching 		2 years ago
..
ANTECHAMBER_AC.AC First launching 2 years ago
ANTECHAMBER_AC.AC0 First launching 2 years ago
ANTECHAMBER_AM1BCC.AC First launching 2 years ago
ANTECHAMBER_AM1BCC_PRE.AC First launching 2 years ago
ANTECHAMBER_BOND_TYPE.AC First launching 2 years ago
ANTECHAMBER_BOND_TYPE.AC0 First launching 2 years ago
ANTECHAMBER_GAS.AC First launching 2 years ago
ANTECHAMBER_GAS_AT.AC First launching 2 years ago
ATOMTYPE.INF First launching 2 years ago
C-C.skf First launching 2 years ago
C-H.skf First launching 2 years ago
C-N.skf First launching 2 years ago
C-O.skf First launching 2 years ago
H-C.skf First launching 2 years ago
H-H.skf First launching 2 years ago
H-N.skf First launching 2 years ago
H-O.skf First launching 2 years ago
N-C.skf First launching 2 years ago
N-H.skf First launching 2 years ago
N-N.skf First launching 2 years ago
N-O.skf First launching 2 years ago
O-C.skf First launching 2 years ago
O-H.skf First launching 2 years ago
O-N.skf First launching 2 years ago
O-O.skf First launching 2 years ago
URA.inpcrd First launching 2 years ago
URA.lib First launching 2 years ago
URA.parmtop First launching 2 years ago
URA_gaff.pdb First launching 2 years ago
chrgfile First launching 2 years ago
cmmd.engrad First launching 2 years ago
cmmd.gbw First launching 2 years ago
cmmd.in First launching 2 years ago
cmmd.opt First launching 2 years ago
cmmd.out First launching 2 years ago
cmmd.xtbrestart First launching 2 years ago
cmmd.xyz First launching 2 years ago
cmmd_property.txt First launching 2 years ago
cmmd_trj.xyz First launching 2 years ago
dftb.inp First launching 2 years ago
geom.smi First launching 2 years ago
geom.xyz First launching 2 years ago
leap.log First launching 2 years ago
run.sh First launching 2 years ago
run_babel.sh First launching 2 years ago
slurm-2584.out First launching 2 years ago
slurm-2585.out First launching 2 years ago
slurm-2589.out First launching 2 years ago
slurm-2590.out First launching 2 years ago
slurm-2591.out First launching 2 years ago
sqm.in First launching 2 years ago
sqm.out First launching 2 years ago
sqm.pdb First launching 2 years ago
tleap.in First launching 2 years ago
urea.frcmod First launching 2 years ago
urea.mol2 First launching 2 years ago
urea.pdb First launching 2 years ago
urea_mod.mol2 First launching 2 years ago