diff --color -ur /nix/store/wxa9k7aq7yw0b8rrcnvsmi8jq487x1lr-vasp-6.4.0/src/main.F /home/chn/Desktop/vasp/src/main.F
--- a/src/main.F	1970-01-01 08:00:01.000000000 +0800
+++ b/src/main.F	2024-04-14 11:09:56.920197043 +0800
@@ -965,7 +965,7 @@
 ! init all chains (INCAR reader)
 !-----------------------------------------------------------------------
       LCHAIN = IMAGES > 0 .AND. .NOT.AFQMC_SET % ACTIVE
-      IF (LCHAIN) CALL chain_init( T_INFO, IO)
+      CALL chain_init( T_INFO, IO)
 !-----------------------------------------------------------------------
 !xml finish copying parameters from INCAR to xml file
 ! no INCAR reading from here
@@ -3623,7 +3623,7 @@
       ENDIF
 
       CALL CHAIN_FORCE(T_INFO%NIONS,DYN%POSION,TOTEN,TIFOR, &
-           LATT_CUR%A,LATT_CUR%B,IO%IU6)
+           TSIF,LATT_CUR%A,LATT_CUR%B,IO%IU6)
 
       CALL PARALLEL_TEMPERING(NSTEP,T_INFO%NIONS,DYN%POSION,DYN%VEL,TOTEN,TIFOR,DYN%TEBEG,DYN%TEEND, &
            LATT_CUR%A,LATT_CUR%B,IO%IU6)
diff --color -ur /nix/store/wxa9k7aq7yw0b8rrcnvsmi8jq487x1lr-vasp-6.4.0/src/makefile /home/chn/Desktop/vasp/src/makefile
--- a/src/makefile	1970-01-01 08:00:01.000000000 +0800
+++ b/src/makefile	2024-04-14 11:12:29.534219679 +0800
@@ -14,7 +14,7 @@
 OFLAG=$(OFLAG_2)
 OFLAG_IN=$(OFLAG)
 
-LIB=lib parser
+LIB=lib parser pyamff_fortran
 LLIB=-Llib -ldmy -Lparser -lparser
 
 SRCDIR=../../src
@@ -146,7 +146,7 @@
 	$(MAKE) -C $@ -j1
 #	$(MAKE) -C $@
 
-dependencies: sources
+dependencies: sources libs
 	$(MAKE) depend
 
 depend: $(F90SRC)
diff --color -ur /nix/store/wxa9k7aq7yw0b8rrcnvsmi8jq487x1lr-vasp-6.4.0/src/.objects /home/chn/Desktop/vasp/src/.objects
--- a/src/.objects	1970-01-01 08:00:01.000000000 +0800
+++ b/src/.objects	2024-04-14 11:10:56.879417040 +0800
@@ -122,6 +122,10 @@
 	dos.o \
 	elf.o \
 	hamil_rot.o \
+	bfgs.o dynmat.o instanton.o lbfgs.o sd.o cg.o dimer.o bbm.o \
+	fire.o lanczos.o neb.o qm.o \
+	pyamff_fortran/*.o ml_pyamff.o \
+	opt.o \
 	chain.o \
 	dyna.o \
 	fileio.o \