cleaned cap things

2025-05-06 07:05:33 +02:00 · 2025-04-30 11:34:06 +02:00 · 2025-04-30 11:34:06 +02:00 · 8c747ae9a1
commit 8c747ae9a1
parent 95dc377107
5 changed files with 1 additions and 16561 deletions
--- a/cap_data/C2H2X
+++ b/cap_data/C2H2X
@ -1,2 +1,2 @@
 onset_x	onset_y	onset_z	eta_opt
-3.2 	3.2 	3.2	0.0015
+3.2 	3.2 	6.35	0.0015
--- a/cap_integrals/aug-cc-pvtz+3s3p3d_C2H2
+++ b/cap_integrals/aug-cc-pvtz+3s3p3d_C2H2
--- a/cap_integrals/aug-cc-pvtz+3s3p3d_C2H4
+++ b/cap_integrals/aug-cc-pvtz+3s3p3d_C2H4
--- a/cap_integrals/aug-cc-pvtz+3s3p3d_CO
+++ b/cap_integrals/aug-cc-pvtz+3s3p3d_CO
--- a/cap_integrals/aug-cc-pvtz+3s3p3d_N2
+++ b/cap_integrals/aug-cc-pvtz+3s3p3d_N2