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srtee
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lammps-USER-CONP2
updated constant potential plugin for LAMMPS
GNU General Public License v3.0
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How to solve the potential distribution after updating the movable electrode using the cg method?
#49
ms123456-TX
closed
1 year ago
0
Some confusion about "noslab zneutr" enables fix conp to run a "doubled cell" simulation
#48
02022yan
opened
1 year ago
1
报错USER-INTEL package does not support per-atom stress (../pair_lj_cut_coul_long_intel.cpp:78) noe
#47
wmy595265578
opened
1 year ago
0
Segmentation Error
#46
shahriarabdullah
opened
1 year ago
3
New feature: Update the A matrix at some interval/frequency
#45
gullbrekken
opened
2 years ago
4
Using CPM in EMD or NEMD
#44
ms123456-TX
closed
2 years ago
1
How "etypes [Ntypes] [type1] [type2]" Recognize different types of atoms?
#43
umardad
closed
2 years ago
0
LAMMPS_NS::GridComm" has no member "reverse_comm_kspace
#42
cron-weasley
closed
2 years ago
4
Is the Finite field method equilibrium electric field accurate?
#41
ms123456-TX
closed
2 years ago
3
Fix did not correctly charge ghost atoms
#40
srtee
opened
2 years ago
0
Using the compute potential/atom function
#39
ms123456-TX
closed
2 years ago
1
installing the code
#38
hosseinv93
closed
2 years ago
1
Error in fix conp command while running the test code
#37
AyshaSiddikaAsha
closed
2 years ago
2
How can l calculate the potential of the system in the z-direction?
#36
ms123456-TX
closed
2 years ago
0
How can l calculate the potential of the system in the z-direction?
#35
ms123456-TX
closed
2 years ago
2
Could this CPM be coupled with ReaxFF? Use them together.
#34
ms123456-TX
closed
2 years ago
2
Does ffield is suitable for my system?
#33
saffari101
closed
2 years ago
2
Script for reverse potential of electrodes
#32
saffari101
closed
2 years ago
2
Why the electrodes were stretched toward each other?
#31
saffari101
closed
3 years ago
2
error while testing
#30
marze55
closed
3 years ago
2
fix cond working
#29
srtee
closed
3 years ago
0
Help for new fix command
#28
saffari101
closed
3 years ago
2
Zmirror
#27
srtee
closed
3 years ago
0
v1.1 update
#26
srtee
closed
3 years ago
0
Refactor kspmods
#25
srtee
closed
3 years ago
0
Updated installation process to hook in to LAMMPS' CMake process.
#24
emilyviolet
closed
3 years ago
3
Fix can crash when atom IDs are non-contiguous
#23
srtee
opened
3 years ago
0
BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
#22
saffari101
closed
3 years ago
2
USER-DRUDE package compatability
#21
llangford1
closed
3 years ago
4
qinit test!
#20
srtee
closed
3 years ago
0
Need help for installing CONP2
#19
saffari101
closed
3 years ago
8
solved
#18
saffari101
closed
3 years ago
0
Ewald split
#17
srtee
closed
3 years ago
0
input updated with examples
#16
srtee
closed
3 years ago
0
Compute potential atom
#15
srtee
closed
3 years ago
0
Compiling problems
#14
Xiaohui-Yang
closed
3 years ago
25
Compiling error in Cluster
#13
XiaoboLinlin
closed
3 years ago
6
Question on running on cluster
#12
saffari101
closed
3 years ago
2
Refactoring2
#11
srtee
closed
3 years ago
0
Compiling problems using cmake
#10
XiaoboLinlin
closed
3 years ago
22
Vectormania
#9
srtee
closed
3 years ago
0
merge zneutral feature into main
#8
srtee
closed
3 years ago
0
trimmed k-vector list structure
#7
srtee
closed
3 years ago
0
Csk snk persist
#6
srtee
closed
3 years ago
0
Advanced neighlists
#5
srtee
closed
3 years ago
0
Laptop
#4
srtee
closed
3 years ago
0
test for only v3
#3
srtee
closed
3 years ago
0
added arrays
#2
srtee
closed
3 years ago
0
added multiple tests
#1
srtee
closed
3 years ago
0