issues
search
biklooost
/
PROPhet
PROPhet is a code to integrate machine learning techniques with first-principles quantum chemistry approaches
GNU General Public License v3.0
64
stars
26
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
vasprun.xml load error
#22
201755133
opened
7 months ago
0
Can we change the number of data for traning and prediction from (250, 50) to some other numbers ?
#21
debashish12
closed
3 years ago
0
What kind of error "‘class LAMMPS_NS::Force’ has no member named ‘numeric’" in compiling amp_compatible branch with gcc?
#20
hopefulp
opened
3 years ago
0
LAMMPs 'hybrid/overlay' cannot use PROPhet potential
#19
omorrison1
opened
3 years ago
0
Problem of linking PROPhet to LAMMPS-18Sep20
#18
JWCheys
opened
3 years ago
0
Not reproducing the same data
#17
muthukumar2k3
opened
4 years ago
0
Problem of linking PROPhet to LAMMPS-16Mar18
#16
apmtcc
opened
5 years ago
1
Segmentation fault (11) when running lammps
#15
hnbabaei
opened
6 years ago
0
Error in calculating p values
#14
danielsauceda
opened
6 years ago
0
gvectors printing fails
#13
danielsauceda
opened
6 years ago
0
Minor errors in the documentation
#12
danielsauceda
closed
6 years ago
1
input_precondition to potential file
#11
levilentz
closed
6 years ago
0
Amp compatible
#10
levilentz
closed
6 years ago
0
Pull to fix G3 force calculation
#9
levilentz
closed
6 years ago
0
SGD Shuffle
#8
levilentz
closed
6 years ago
0
Version 1.1
#7
levilentz
closed
6 years ago
0
Testing
#6
levilentz
closed
6 years ago
0
docs feature request: sample input files for other codes
#5
EfremBraun
closed
6 years ago
1
documentation's tutorial results differ
#4
EfremBraun
closed
6 years ago
1
About checkpoint file header structure
#3
YuLin9568
closed
6 years ago
1
link with lammps
#2
zoowe
closed
7 years ago
1
LAMMPS fail with the potential from PROPhet
#1
Nanco-L
closed
7 years ago
4