tmpchem computational_chemistry issues - Githubissues

tmpchem / computational_chemistry

Files used in TMP Chem videos on computational chemistry

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Z matrix to Cartesian converter uses average atomic weights

#10 AlexB67 opened 4 years ago
0
ensure usage will always print the right filename

#9 szabgab opened 4 years ago
1
gitignore generated files so they won't get added to the repository

#8 szabgab closed 4 years ago
0
ensure that the Usage: always prints the correct name of a script

#7 szabgab closed 4 years ago
2
encountered error

#6 abuhaby opened 4 years ago
1
Sorting convention for principal axis

#5 darismendi closed 5 years ago
1
Fixed update methods in topology.py to take molecule, and fixed calls…

#4 jialincheoh closed 6 years ago
2
R_ij divisor terms

#3 mariohm1311 closed 6 years ago
1
Kinetic pressure calculation

#2 mariohm1311 closed 6 years ago
2
Minor improvements to the README

#1 pricebenjamin closed 6 years ago
0