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jthorton
/
de-forcefields
Transferable Double Exponential non-bonded potential for condensed phase simulations of small molecules
MIT License
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Plugin v-sites update
#12
jthorton
closed
2 months ago
0
Update energy tests
#11
mattwthompson
closed
7 months ago
1
Remove vdW section
#10
mattwthompson
closed
7 months ago
0
Remove dummy vdw handlers
#9
jthorton
closed
7 months ago
1
Missing hydrogen bound to triple-bonded carbon parameters?
#8
mattwthompson
opened
8 months ago
3
Updates for Interchange, non-periodic vdW methods
#7
mattwthompson
closed
10 months ago
0
Allow Python 3.11, switch to `mamba-org/setup-micromamba`
#6
mattwthompson
closed
1 year ago
2
Update the readme with reviewer feedback
#5
jthorton
closed
1 year ago
0
Openmm energy tests
#4
jthorton
closed
7 months ago
1
Test on 3.10
#3
jthorton
closed
1 year ago
0
Python 3.10+
#2
mattwthompson
closed
1 year ago
2
DE-Force-1
#1
jthorton
closed
1 year ago
0