ColabReaction

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Name		Name	Last commit message	Last commit date
ColabReaction.ipynb		ColabReaction.ipynb
ColabReaction_Et3N_product.gjf		ColabReaction_Et3N_product.gjf
ColabReaction_Et3N_product.xyz		ColabReaction_Et3N_product.xyz
ColabReaction_Et3N_reactant.gjf		ColabReaction_Et3N_reactant.gjf
ColabReaction_Et3N_reactant.xyz		ColabReaction_Et3N_reactant.xyz
DMF_energy.csv		DMF_energy.csv
DMF_final.traj		DMF_final.traj
DMF_final.xyz		DMF_final.xyz
DMF_final_gv.log		DMF_final_gv.log
DMF_init.traj		DMF_init.traj
DMF_init.xyz		DMF_init.xyz
DMF_ipopt.out		DMF_ipopt.out
DMF_tmax.traj		DMF_tmax.traj
DMF_tmax.xyz		DMF_tmax.xyz
energy_history.txt		energy_history.txt
fbenm_ipopt.out		fbenm_ipopt.out
force_history.txt		force_history.txt
local_maxima_13.log		local_maxima_13.log
local_maxima_13.xyz		local_maxima_13.xyz
local_maxima_13_vib_0.xyz		local_maxima_13_vib_0.xyz
local_maxima_13_vib_1.xyz		local_maxima_13_vib_1.xyz
local_maxima_13_vib_2.xyz		local_maxima_13_vib_2.xyz
local_maxima_18.log		local_maxima_18.log
local_maxima_18.xyz		local_maxima_18.xyz
local_maxima_18_vib_0.xyz		local_maxima_18_vib_0.xyz
local_maxima_18_vib_1.xyz		local_maxima_18_vib_1.xyz
local_maxima_18_vib_2.xyz		local_maxima_18_vib_2.xyz
product.xyz		product.xyz
reactant.xyz		reactant.xyz
test		test
timing_log.txt		timing_log.txt
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