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iRASPA
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RASPA2
Classical molecular simulation code
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Overestimation of Helium Void Fraction (HVD)
#56
sofiagrcia
opened
4 months ago
0
Creating molecules for more systems than the maximum allowed: 1
#55
zhangshd
opened
5 months ago
2
Warning in Raspa simulation
#54
khadeeja5858
opened
7 months ago
0
Installation Issue
#53
Xiaoyi-ZHANG23
closed
9 months ago
3
Trouble running RASPA simulation
#52
bmolnar1
closed
10 months ago
0
NCMC move for simulations in the osmotic ensemble
#51
fxcoudert
closed
11 months ago
1
Installation issue
#50
thenandirajib
opened
1 year ago
1
Density plot generation - one plot per site instead of one plot per guest?
#48
BurnerJ
opened
1 year ago
0
Installation
#41
ssadman2
opened
1 year ago
1
Partition function for propene
#40
w-wonder-2023
opened
1 year ago
0
RASPA for a database
#39
alireza68hadi
opened
1 year ago
2
Set BoundaryCondition to CUBIC when possible
#38
Liozou
closed
11 months ago
1
Unable to run RASPA2 simulation
#37
silabrata
opened
2 years ago
1
Installation not working in RASPA2 directory
#36
sibo
opened
2 years ago
2
Average Widom Rosenbluth factor for quartz
#35
TMuther
closed
2 years ago
0
Missing molecules/* files ?
#34
paulboone
opened
2 years ago
0
commmand not found
#33
mamadahmadii
opened
2 years ago
0
Could other potential functions be added into RASPA2? like the ReaxFF potential function.
#32
tjugonghao
opened
2 years ago
1
p_1 of MORSE2* potentials should be labeled as unitless
#31
dcyang
closed
1 year ago
1
The critical temperature, the critical pressure, and the acentric factor of water in TIP5P.def are data of CO2
#30
johnbbbb
opened
2 years ago
0
Installation not working with Intel
#29
sdpb
opened
2 years ago
1
Potential bug installing RASPA in Ubuntu 20.10
#28
lfsalasg
opened
3 years ago
0
Cannot run "make install" on Mac OS 10.15.7
#27
amoghc26
closed
3 years ago
0
Error opening input-file
#26
nk1945
opened
3 years ago
0
Some provided MOFs are not charge-balanced
#25
Andrew-S-Rosen
opened
3 years ago
0
zif 11 and zif 12 structures identical
#24
ltalirz
opened
3 years ago
1
Issue with Ethene adsorption calculations in MOF
#23
Sridhar-hub
closed
3 years ago
1
readme: add links to docs
#22
ltalirz
closed
3 years ago
1
Support Open Babel >3 in python interface
#21
patrickfuller
closed
3 years ago
1
Revert "corrected the formula to compute the reduced mass"
#20
dubbelda
closed
3 years ago
0
corrected the formula to compute the reduced mass
#19
nakulrampal
closed
3 years ago
6
Molecular trajectories during MSD simulation
#18
sli259
closed
3 years ago
1
Documentation - pdf manual
#17
MichalTra
opened
3 years ago
4
Charge Equilibration leads to Segmentation Fault
#16
neumannrf
opened
3 years ago
1
Cleanup
#15
ltalirz
closed
3 years ago
0
conda package
#14
ltalirz
closed
3 years ago
2
empty changelog?
#13
ltalirz
closed
3 years ago
2
test suite for continuous integration?
#12
ltalirz
opened
3 years ago
0
memory leaks?
#11
ltalirz
closed
3 years ago
1
Problems in RASPA2 installation
#10
zwang1995
closed
3 years ago
0
Python interface `RASPA2.run()` fails for `v2.0.38`
#9
neumannrf
closed
3 years ago
1
Visualization with raspa2.0
#8
assoua
closed
3 years ago
3
Installation
#7
sli259
closed
3 years ago
8
LICENSE
#6
dejac001
closed
3 years ago
1
Wrong atomtype in TraPPE trans-butene molecule
#5
MichalTra
closed
3 years ago
1
Ammonia partition function
#4
cheathturner
opened
4 years ago
0
Typo in conversion factor
#3
danieleongari
closed
4 years ago
2
Problem in declaring RASPA_DIR
#2
ezpzbz
closed
3 years ago
1
FEYNMAN HIBBS LENNARD JONES
#1
shaochenzhang
closed
3 years ago
1