davpoolechem JuliaChem.jl issues

davpoolechem / JuliaChem.jl

A research-grade quantum chemistry program written in Julia

MIT License

63 stars 14 forks source link

issues

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Formation Energy

#37 davpoolechem closed 3 years ago
0
Basis Print Rework

#36 davpoolechem closed 3 years ago
0
Basis Set Linear Dependence Fix

#35 davpoolechem closed 3 years ago
0
Molecular Properties

#34 davpoolechem closed 3 years ago
1
Benchmarks + Micro-Optimizations

#33 davpoolechem closed 3 years ago
0
Superposition of Atomic Densities

#32 davpoolechem closed 3 years ago
0
Basis Set Improvements

#31 davpoolechem closed 3 years ago
0
Usage of libint_jll

#30 davpoolechem closed 3 years ago
1
Dipole Moments

#29 davpoolechem closed 3 years ago
1
Dipole Moments

#28 davpoolechem closed 3 years ago
1
Dipole Moments

#27 davpoolechem closed 3 years ago
1
Jupyter Notebook Demo

#26 davpoolechem closed 4 years ago
1
New Multithreading Scheme

#25 davpoolechem closed 4 years ago
1
Improve Build System for JuliaChem/Libint Interface

#24 davpoolechem closed 4 years ago
1
Build can't find julia.h, issue with JlCXX?

#23 TyBalduf closed 4 years ago
2
Update build script

#22 davpoolechem closed 4 years ago
1
Libint Implementation

#21 davpoolechem closed 4 years ago
1
ARPA-E Input Files

#20 davpoolechem closed 4 years ago
1
ARPA-E Input Tests

#19 davpoolechem closed 4 years ago
0
Maintenance

#18 davpoolechem closed 4 years ago
1
F shells and JCModules merge

#17 davpoolechem closed 4 years ago
1
Multithreading

#16 davpoolechem closed 4 years ago
1
Memory Usage Optimizations

#15 davpoolechem closed 4 years ago
1
d shell support

#14 davpoolechem closed 4 years ago
1
Fock Matrix Differencing

#13 davpoolechem closed 4 years ago
1
Code optimizations and new benchmarks

#12 davpoolechem closed 4 years ago
1
Use proper code styling in readme

#11 zlatanvasovic closed 4 years ago
1
Schwarz Screening

#10 davpoolechem closed 4 years ago
1
Davpoole/l shells

#9 davpoolechem closed 4 years ago
0
Basis set is now read from current directory using @__DIR__

#8 davpoolechem closed 4 years ago
0
Davpoole/build

#7 davpoolechem closed 4 years ago
0
Davpoole/build

#6 davpoolechem closed 4 years ago
0
Davpoole/build

#5 davpoolechem closed 4 years ago
0
New Build System

#4 davpoolechem closed 4 years ago
0
Development

#3 davpoolechem closed 4 years ago
0
Development

#2 davpoolechem closed 4 years ago
0
Create LICENSE.md

#1 davpoolechem closed 5 years ago
0