Commit Graph

12 Commits

Author SHA1 Message Date
jean paul nshuti 30790a924d modify the filenames to differentiate planar and pyramidal geometry 2025-10-10 09:44:10 +02:00
jean paul nshuti 977dcab593 add the genetic parameter of pyramidal 2025-10-09 18:22:59 +02:00
jean paul nshuti b23f225ec8 change value of Wter 2025-10-09 17:40:33 +02:00
jean paul nshuti e747afbd40 modify the invariants for only few of them 2025-10-09 17:28:39 +02:00
jean paul nshuti 79ad45bb9d Merge branch 'main' into Planar_nh3
I want the branch to have the same src code
2025-10-09 14:30:49 +02:00
jean paul nshuti c74e309497 Modify the weight and set the unnormalized weight to one .i.e disabling the weighted method of David for the energy 2025-10-09 13:07:26 +02:00
jean paul nshuti 7d03faaef1 modify the makefile for compilinng the planar 2025-10-09 13:03:42 +02:00
jean paul nshuti 6f1323639a fix the model and nnadia 2025-10-09 13:01:49 +02:00
jean paul nshuti ccf300a77e Add the model for planar geometry of NH3+ 2025-10-09 10:05:57 +02:00
jean paul nshuti 159635c494 remove makefile for the base code 2025-10-09 10:04:08 +02:00
jean paul nshuti 9892407761 remove the model for the base code 2025-10-09 10:01:07 +02:00
jean paul nshuti 3fbacaf43d first push 2025-10-09 09:58:31 +02:00