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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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CMMDE/examples/larutan/UreaAir/water
Aditya Wibawa Sakti 175a7c6f52
First launching 		2 years ago
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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
H-H.skf First launching 2 years ago
H-O.skf First launching 2 years ago
O-H.skf First launching 2 years ago
O-O.skf 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-2586.out First launching 2 years ago
slurm-2587.out First launching 2 years ago
slurm-2592.out First launching 2 years ago
slurm-2593.out First launching 2 years ago
slurm-2594.out First launching 2 years ago
slurm-2595.out First launching 2 years ago
slurm-2596.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
water.frcmod First launching 2 years ago
water.inpcrd First launching 2 years ago
water.lib First launching 2 years ago
water.mol2 First launching 2 years ago
water.parmtop First launching 2 years ago
water.pdb First launching 2 years ago
water_gaff.pdb First launching 2 years ago
water_mod.mol2 First launching 2 years ago