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modified version of molscat (14) given by F. Lique on november 2025
2 Commits 1 Branch 0 Tags 446 KiB
Fortran 98.9%
CMake 1.1%
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Guillaume Raffy 06b83b1561 added a readme 2026-02-20 13:49:07 +01:00
POTEN_rigidXD.f90 added the molscat source code that were sent by flique to me (saboi) on 10/10/2025 2026-02-20 13:25:08 +01:00
SUBROUTINES_F77.f added the molscat source code that were sent by flique to me (saboi) on 10/10/2025 2026-02-20 13:25:08 +01:00
co2_co.input added the molscat source code that were sent by flique to me (saboi) on 10/10/2025 2026-02-20 13:25:08 +01:00
dblas.f added the molscat source code that were sent by flique to me (saboi) on 10/10/2025 2026-02-20 13:25:08 +01:00
lapack.f added the molscat source code that were sent by flique to me (saboi) on 10/10/2025 2026-02-20 13:25:08 +01:00
potenl_pes.f added the molscat source code that were sent by flique to me (saboi) on 10/10/2025 2026-02-20 13:25:08 +01:00
readme.md added a readme 2026-02-20 13:49:07 +01:00
v14_new.f added the molscat source code that were sent by flique to me (saboi) on 10/10/2025 2026-02-20 13:25:08 +01:00
vrtp_co_co2.f added the molscat source code that were sent by flique to me (saboi) on 10/10/2025 2026-02-20 13:25:08 +01:00

readme.md

This is molscat 14 modified by F. Lique

how to build

gfortran -o molscat -std=legacy -mcmodel=large *.f *.f90

how to run

./molscat < ./co2_co.input > molscat.stdout