Jean Paul Nshuti jnshuti
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  • Joined on 2024-02-13
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jnshuti pushed to main at jnshuti/PES_FULL_NH3 2025-11-27 10:23:04 +01:00
42bede082f first commit
jnshuti created branch main in jnshuti/PES_FULL_NH3 2025-11-27 10:23:04 +01:00
jnshuti created repository jnshuti/PES_FULL_NH3 2025-11-27 10:21:11 +01:00
jnshuti pushed to Planar_nh3 at jnshuti/Gen_ANN_nh3_base 2025-10-16 10:40:28 +02:00
ed08df84fd correct typo in keyread
jnshuti pushed to Pyramidal_nh3 at jnshuti/Gen_ANN_nh3_base 2025-10-10 11:28:38 +02:00
67961496d5 rename files
jnshuti pushed to Pyramidal_nh3 at jnshuti/Gen_ANN_nh3_base 2025-10-10 09:44:24 +02:00
30790a924d modify the filenames to differentiate planar and pyramidal geometry
jnshuti pushed to Planar_nh3 at jnshuti/Gen_ANN_nh3_base 2025-10-10 09:37:05 +02:00
55ee0ac472 rename the nncoords and invariants then update the makefile
jnshuti pushed to Pyramidal_nh3 at jnshuti/Gen_ANN_nh3_base 2025-10-09 18:23:27 +02:00
977dcab593 add the genetic parameter of pyramidal
jnshuti created branch Pyramidal_nh3 in jnshuti/Gen_ANN_nh3_base 2025-10-09 18:23:27 +02:00
jnshuti pushed to Planar_nh3 at jnshuti/Gen_ANN_nh3_base 2025-10-09 17:40:59 +02:00
b23f225ec8 change value of Wter
jnshuti pushed to Planar_nh3 at jnshuti/Gen_ANN_nh3_base 2025-10-09 17:28:55 +02:00
e747afbd40 modify the invariants for only few of them
jnshuti pushed to Planar_nh3 at jnshuti/Gen_ANN_nh3_base 2025-10-09 14:34:14 +02:00
79ad45bb9d Merge branch 'main' into Planar_nh3
c74e309497 Modify the weight and set the unnormalized weight to one .i.e disabling the weighted method of David for the energy
Compare 2 commits »
jnshuti pushed to main at jnshuti/Gen_ANN_nh3_base 2025-10-09 13:07:54 +02:00
c74e309497 Modify the weight and set the unnormalized weight to one .i.e disabling the weighted method of David for the energy
jnshuti pushed to Planar_nh3 at jnshuti/Gen_ANN_nh3_base 2025-10-09 13:04:41 +02:00
7d03faaef1 modify the makefile for compilinng the planar
jnshuti pushed to Planar_nh3 at jnshuti/Gen_ANN_nh3_base 2025-10-09 13:02:34 +02:00
6f1323639a fix the model and nnadia
jnshuti pushed to Planar_nh3 at jnshuti/Gen_ANN_nh3_base 2025-10-09 10:06:47 +02:00
ccf300a77e Add the model for planar geometry of NH3+
jnshuti created branch Planar_nh3 in jnshuti/Gen_ANN_nh3_base 2025-10-09 10:06:47 +02:00
jnshuti pushed to main at jnshuti/Gen_ANN_nh3_base 2025-10-09 10:04:19 +02:00
159635c494 remove makefile for the base code
jnshuti pushed to main at jnshuti/Gen_ANN_nh3_base 2025-10-09 10:01:32 +02:00
9892407761 remove the model for the base code
jnshuti pushed to main at jnshuti/Gen_ANN_nh3_base 2025-10-09 09:59:15 +02:00
3fbacaf43d first push