Commit Graph

  • ed08df84fd correct typo in keyread Planar_nh3 jean paul nshuti 2025-10-16 10:40:11 +0200
  • 67961496d5 rename files Pyramidal_nh3 jean paul nshuti 2025-10-10 11:28:25 +0200
  • 30790a924d modify the filenames to differentiate planar and pyramidal geometry jean paul nshuti 2025-10-10 09:44:10 +0200
  • 55ee0ac472 rename the nncoords and invariants then update the makefile jean paul nshuti 2025-10-10 09:36:51 +0200
  • 977dcab593 add the genetic parameter of pyramidal jean paul nshuti 2025-10-09 18:22:59 +0200
  • b23f225ec8 change value of Wter jean paul nshuti 2025-10-09 17:40:33 +0200
  • e747afbd40 modify the invariants for only few of them jean paul nshuti 2025-10-09 17:28:39 +0200
  • 79ad45bb9d Merge branch 'main' into Planar_nh3 I want the branch to have the same src code jean paul nshuti 2025-10-09 14:30:49 +0200
  • c74e309497 Modify the weight and set the unnormalized weight to one .i.e disabling the weighted method of David for the energy main jean paul nshuti 2025-10-09 13:07:26 +0200
  • 7d03faaef1 modify the makefile for compilinng the planar jean paul nshuti 2025-10-09 13:03:42 +0200
  • 6f1323639a fix the model and nnadia jean paul nshuti 2025-10-09 13:01:49 +0200
  • ccf300a77e Add the model for planar geometry of NH3+ jean paul nshuti 2025-10-09 10:05:57 +0200
  • 159635c494 remove makefile for the base code jean paul nshuti 2025-10-09 10:04:08 +0200
  • 9892407761 remove the model for the base code jean paul nshuti 2025-10-09 10:01:07 +0200
  • 3fbacaf43d first push jean paul nshuti 2025-10-09 09:58:31 +0200